2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C15H16N2O3S — CID 116696532

IUPAC2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)c1ccc(NC(=O)c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C15H16N2O3S/c1-15(2,3)9-4-6-10(7-5-9)16-12(18)13-17-11(8-21-13)14(19)20/h4-8H,1-3H3,(H,16,18)(H,19,20)
InChIKeyVEKZFWDIVVJQQK-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.39
Rot. Bonds3

About 2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116696532) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116696532
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)c1ccc(NC(=O)c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C15H16N2O3S/c1-15(2,3)9-4-6-10(7-5-9)16-12(18)13-17-11(8-21-13)14(19)20/h4-8H,1-3H3,(H,16,18)(H,19,20)
InChIKeyVEKZFWDIVVJQQK-UHFFFAOYSA-N
XLogP3.39
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023863
2-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697306
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
2-[(1-methylpyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696698
2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696589
2-(quinolin-6-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697056
2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
CID 80549406
2-(pyrimidin-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696597
4-[4-[[2-(4-tert-butylphenyl)benzoyl]amino]phenyl]-1,3-thiazole-2-carboxylic acid
CID 59820177
2-[(3-fluoro-4-nitrophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697344
2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696469
2-[(2-ethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696638

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116696532) is 2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is CC(C)(C)c1ccc(NC(=O)c2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VEKZFWDIVVJQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-15(2,3)9-4-6-10(7-5-9)16-12(18)13-17-11(8-21-13)14(19)20/h4-8H,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).