2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide

C11H10N4O2S — CID 110474421

IUPAC2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NC(=O)c2cccc(N)c2)n1
InChIInChI=1S/C11H10N4O2S/c12-7-3-1-2-6(4-7)10(17)15-11-14-8(5-18-11)9(13)16/h1-5H,12H2,(H2,13,16)(H,14,15,17)
InChIKeyLJMCHWHSYQRZIZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.08
Rot. Bonds3

About 2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide

2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 110474421) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID110474421
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NC(=O)c2cccc(N)c2)n1
InChIInChI=1S/C11H10N4O2S/c12-7-3-1-2-6(4-7)10(17)15-11-14-8(5-18-11)9(13)16/h1-5H,12H2,(H2,13,16)(H,14,15,17)
InChIKeyLJMCHWHSYQRZIZ-UHFFFAOYSA-N
XLogP1.08
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(pyridine-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 110471210
2-[(6-methylpyridine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 110472181
2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 16915451
3-amino-N-(5-bromo-1,3-thiazol-2-yl)benzamide
CID 60789785
2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carbonyl chloride
CID 87544502
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 28861611
2-[(3-fluorobenzoyl)amino]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 16916129
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide
CID 54068309
3-(dimethylamino)-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77046838

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 110474421) is 2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(NC(=O)c2cccc(N)c2)n1.
What is the InChIKey of 2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is LJMCHWHSYQRZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c12-7-3-1-2-6(4-7)10(17)15-11-14-8(5-18-11)9(13)16/h1-5H,12H2,(H2,13,16)(H,14,15,17).
What are the key properties of 2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide?
2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminobenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110474421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).