AE31121
120740-06-9 | (2-Chloro-thiazol-5-ylmethyl)-methyl-amine
Manufacturer: A2B Chem
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CatalogNumber
AE31121
ChemicalName
(2-Chloro-thiazol-5-ylmethyl)-methyl-amine
CasNumber
120740-06-9
MolecularFormula
C5H7ClN2S
MolecularWeight
162.6405
MdlNumber
MFCD18206726
Smiles
CNCc1cnc(s1)Cl
Complexity
91
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AE31121
ChemicalName: (2-Chloro-thiazol-5-ylmethyl)-methyl-amine
CasNumber: 120740-06-9
MolecularFormula: C5H7ClN2S
MolecularWeight: 162.6405
MdlNumber: MFCD18206726
Smiles: CNCc1cnc(s1)Cl
Complexity: 91
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AE31121
ChemicalName:
(2-Chloro-thiazol-5-ylmethyl)-methyl-amine
CasNumber:
120740-06-9
MolecularFormula:
C5H7ClN2S
MolecularWeight:
162.6405
MdlNumber:
MFCD18206726
Smiles:
CNCc1cnc(s1)Cl
Complexity:
91
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](C1OC(C(C1O)O)c1c[nH]c(=O)[nH]c1=O)NC(=O)[C@H]([C@@H]([C@@H](c1ccc(cn1)O)O)C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](C1OC(C(C1O)O)c1c[nH]c(=O)[nH]c1=O)NC(=O)[C@H]([C@@H]([C@@H](c1ccc(cn1)O)O)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)O[C@H]1C=C([C@@]2([C@]1(O)[C@@H]1C[C@H]3O[C@]43[C@]([C@H]1CC2)(C)C(=O)C=C[C@@H]4O)C)[C@@H]([C@H]1CC(=C(C(=O)O1)C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)O[C@H]1C=C([C@@]2([C@]1(O)[C@@H]1C[C@H]3O[C@]43[C@]([C@H]1CC2)(C)C(=O)C=C[C@@H]4O)C)[C@@H]([C@H]1CC(=C(C(=O)O1)C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)[C@H]2N=C([C@@H](NC(=O)[C@H]3N=C([C@H]4N1CCC4)O[C@@H]3C)C(C)C)SC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@@H](Cc2ccccc2)NC(=O)[C@H]2N=C([C@@H](NC(=O)[C@H]3N=C([C@H]4N1CCC4)O[C@@H]3C)C(C)C)SC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__