2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid

C14H16N2O2S — CID 79023863

IUPAC2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)c1ccc(Nc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-14(2,3)9-4-6-10(7-5-9)15-13-16-11(8-19-13)12(17)18/h4-8H,1-3H3,(H,15,16)(H,17,18)
InChIKeyFUBPCNBSRTYGRM-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.88
Rot. Bonds3

About 2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid

2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 79023863) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID79023863
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCC(C)(C)c1ccc(Nc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C14H16N2O2S/c1-14(2,3)9-4-6-10(7-5-9)15-13-16-11(8-19-13)12(17)18/h4-8H,1-3H3,(H,15,16)(H,17,18)
InChIKeyFUBPCNBSRTYGRM-UHFFFAOYSA-N
XLogP3.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024072
2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 28858371
2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696532
2-(4-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024050
2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid
CID 104527370
2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
CID 82030598
2-(4-butoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 82030619
2-(3-bromo-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 104781916
2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 59802438
2-(1,3-benzothiazol-6-ylamino)-1,3-thiazole-4-carboxylic acid
CID 107806763
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 90824816

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid (CID 79023863) is 2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid is CC(C)(C)c1ccc(Nc2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is FUBPCNBSRTYGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(2,3)9-4-6-10(7-5-9)15-13-16-11(8-19-13)12(17)18/h4-8H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid?
2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 79023863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).