AH97562
864436-94-2 | 5-(Boc-amino)-thiazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH97562
ChemicalName
5-(Boc-amino)-thiazole-4-carboxylic acid
CasNumber
864436-94-2
MolecularFormula
C9H12N2O4S
MolecularWeight
244.2676
MdlNumber
MFCD21607196
Smiles
O=C(Nc1scnc1C(=O)O)OC(C)(C)C
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.3
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CatalogNumber: AH97562
ChemicalName: 5-(Boc-amino)-thiazole-4-carboxylic acid
CasNumber: 864436-94-2
MolecularFormula: C9H12N2O4S
MolecularWeight: 244.2676
MdlNumber: MFCD21607196
Smiles: O=C(Nc1scnc1C(=O)O)OC(C)(C)C
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AH97562
ChemicalName:
5-(Boc-amino)-thiazole-4-carboxylic acid
CasNumber:
864436-94-2
MolecularFormula:
C9H12N2O4S
MolecularWeight:
244.2676
MdlNumber:
MFCD21607196
Smiles:
O=C(Nc1scnc1C(=O)O)OC(C)(C)C
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.3
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Smiles: COC1=CC(=CC(=C1)N=C=O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC1=CC(=CC(=C1)N=C=O)Cl
Complexity:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Clc1ccccc1C1CNCCO1
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Smiles:
Clc1ccccc1C1CNCCO1
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OCCN(C1CCN(CC1)C(=O)OC(C)(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OCCN(C1CCN(CC1)C(=O)OC(C)(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__