4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid

C16H18N2O3S — CID 94970348

IUPAC4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)O)s2)cc1
InChIInChI=1S/C16H18N2O3S/c1-9-5-7-10(8-6-9)13(19)18-15-17-12(16(2,3)4)11(22-15)14(20)21/h5-8H,1-4H3,(H,20,21)(H,17,18,19)
InChIKeyKFDVJTCMIGNGCB-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.70
Rot. Bonds3

About 4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid

4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 94970348) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID94970348
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)O)s2)cc1
InChIInChI=1S/C16H18N2O3S/c1-9-5-7-10(8-6-9)13(19)18-15-17-12(16(2,3)4)11(22-15)14(20)21/h5-8H,1-4H3,(H,20,21)(H,17,18,19)
InChIKeyKFDVJTCMIGNGCB-UHFFFAOYSA-N
XLogP3.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
2-[(4-cyanobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59729192
2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzamide;hydrobromide
CID 141313772
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468263
ethyl 2-[(4-tert-butylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 1311883
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid (CID 94970348) is 4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid is Cc1ccc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)O)s2)cc1.
What is the InChIKey of 4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is KFDVJTCMIGNGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-9-5-7-10(8-6-9)13(19)18-15-17-12(16(2,3)4)11(22-15)14(20)21/h5-8H,1-4H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid?
4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).