N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide

C19H16N4O3S — CID 87544011

IUPACN-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1C(=O)N(N)C(=O)c1ccccc1
InChIInChI=1S/C19H16N4O3S/c1-12-15(18(26)23(20)17(25)14-10-6-3-7-11-14)27-19(21-12)22-16(24)13-8-4-2-5-9-13/h2-11H,20H2,1H3,(H,21,22,24)
InChIKeyUTQXCUUAKSBTKL-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.86
Rot. Bonds4

About N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide

N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 87544011) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID87544011
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1C(=O)N(N)C(=O)c1ccccc1
InChIInChI=1S/C19H16N4O3S/c1-12-15(18(26)23(20)17(25)14-10-6-3-7-11-14)27-19(21-12)22-16(24)13-8-4-2-5-9-13/h2-11H,20H2,1H3,(H,21,22,24)
InChIKeyUTQXCUUAKSBTKL-UHFFFAOYSA-N
XLogP2.86
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843956
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468263
4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 144822340
2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide
CID 87632450
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
2-[(4-cyanobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59729192
N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 59369678
N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
CID 145489196
3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82058794
2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3285189

Frequently Asked Questions

What is the IUPAC name of N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide (CID 87544011) is N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2ccccc2)sc1C(=O)N(N)C(=O)c1ccccc1.
What is the InChIKey of N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is UTQXCUUAKSBTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-12-15(18(26)23(20)17(25)14-10-6-3-7-11-14)27-19(21-12)22-16(24)13-8-4-2-5-9-13/h2-11H,20H2,1H3,(H,21,22,24).
What are the key properties of N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide?
N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 380.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 87544011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).