2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid

C14H14N2O4S — CID 155988765

IUPAC2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1ccc(O)c(C(=O)Nc2nc(C(=O)O)cs2)c1
InChIInChI=1S/C14H14N2O4S/c1-7(2)8-3-4-11(17)9(5-8)12(18)16-14-15-10(6-21-14)13(19)20/h3-7,17H,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyRGCDPWLJNKPUBD-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.92
Rot. Bonds4

About 2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid

2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 155988765) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID155988765
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)c1ccc(O)c(C(=O)Nc2nc(C(=O)O)cs2)c1
InChIInChI=1S/C14H14N2O4S/c1-7(2)8-3-4-11(17)9(5-8)12(18)16-14-15-10(6-21-14)13(19)20/h3-7,17H,1-2H3,(H,19,20)(H,15,16,18)
InChIKeyRGCDPWLJNKPUBD-UHFFFAOYSA-N
XLogP2.92
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18129996
N-(4-acetyl-1,3-thiazol-2-yl)-4-propan-2-ylbenzamide
CID 24555772
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 19611008
5-chloro-2-hydroxy-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzamide
CID 77046812
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 60654609
2-[(2,3,4-trifluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 28858330
2-hydroxy-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-5-methoxybenzamide
CID 77046806
N-(4-chloro-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 102523467
2-hydroxy-5-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 37018478
2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 28858327
2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid
CID 86670247

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid (CID 155988765) is 2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid is CC(C)c1ccc(O)c(C(=O)Nc2nc(C(=O)O)cs2)c1.
What is the InChIKey of 2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is RGCDPWLJNKPUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-7(2)8-3-4-11(17)9(5-8)12(18)16-14-15-10(6-21-14)13(19)20/h3-7,17H,1-2H3,(H,19,20)(H,15,16,18).
What are the key properties of 2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid?
2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-propan-2-ylbenzoyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 155988765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).