AH58733
750640-97-2 | 2-Piperidin-3-yl-1,3-benzothiazole, HCl
Manufacturer: A2B Chem
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CatalogNumber
AH58733
ChemicalName
2-Piperidin-3-yl-1,3-benzothiazole, HCl
CasNumber
750640-97-2
MolecularFormula
C12H14N2S
MolecularWeight
218.318
MdlNumber
MFCD06337670
Smiles
C1CCC(CN1)c1nc2c(s1)cccc2
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.5
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CatalogNumber: AH58733
ChemicalName: 2-Piperidin-3-yl-1,3-benzothiazole, HCl
CasNumber: 750640-97-2
MolecularFormula: C12H14N2S
MolecularWeight: 218.318
MdlNumber: MFCD06337670
Smiles: C1CCC(CN1)c1nc2c(s1)cccc2
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.5
CatalogNumber:
AH58733
ChemicalName:
2-Piperidin-3-yl-1,3-benzothiazole, HCl
CasNumber:
750640-97-2
MolecularFormula:
C12H14N2S
MolecularWeight:
218.318
MdlNumber:
MFCD06337670
Smiles:
C1CCC(CN1)c1nc2c(s1)cccc2
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCS(=O)(=O)c1ccccc1N.Cl
Complexity: 243
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCS(=O)(=O)c1ccccc1N.Cl
Complexity:
243
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(C(=O)N1CCOCC1)NC(=O)OC(C)(C)C
Complexity: 306
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(C(=O)N1CCOCC1)NC(=O)OC(C)(C)C
Complexity:
306
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.5
CatalogNumber: AH58736
ChemicalName: tert-Butyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CasNumber: 77278-68-3
MolecularFormula: C14H22N2O2S
MolecularWeight: 282.4017
MdlNumber: MFCD21102708
Smiles: O=C(N1CCN(CC1)Cc1cccs1)OC(C)(C)C
Complexity: 309
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AH58736
ChemicalName:
tert-Butyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
CasNumber:
77278-68-3
MolecularFormula:
C14H22N2O2S
MolecularWeight:
282.4017
MdlNumber:
MFCD21102708
Smiles:
O=C(N1CCN(CC1)Cc1cccs1)OC(C)(C)C
Complexity:
309
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1