4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid

C17H19NO2S — CID 114360605

IUPAC4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(-c2cccc(C3CC3)c2)sc1C(=O)O
InChIInChI=1S/C17H19NO2S/c1-17(2,3)14-13(16(19)20)21-15(18-14)12-6-4-5-11(9-12)10-7-8-10/h4-6,9-10H,7-8H2,1-3H3,(H,19,20)
InChIKeyHRYYJGYAMCMDLH-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.68
Rot. Bonds3

About 4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid

4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360605) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360605
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(-c2cccc(C3CC3)c2)sc1C(=O)O
InChIInChI=1S/C17H19NO2S/c1-17(2,3)14-13(16(19)20)21-15(18-14)12-6-4-5-11(9-12)10-7-8-10/h4-6,9-10H,7-8H2,1-3H3,(H,19,20)
InChIKeyHRYYJGYAMCMDLH-UHFFFAOYSA-N
XLogP4.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-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-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
2-(2-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114358835
2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114358827
4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98028668
4-tert-butyl-2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360581
2-(2-bromophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114359471
4-tert-butyl-2-cyclopentyl-1,3-thiazole-5-carboxylic acid
CID 114359413
4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82488839
[2-(3-cyclopropylphenyl)-1,3-thiazol-5-yl]methanol
CID 79977643
4-tert-butyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 114359500
2-chloro-1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethanone
CID 113392172
2-(3-aminophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58326660

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid (CID 114360605) is 4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid is CC(C)(C)c1nc(-c2cccc(C3CC3)c2)sc1C(=O)O.
What is the InChIKey of 4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HRYYJGYAMCMDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-17(2,3)14-13(16(19)20)21-15(18-14)12-6-4-5-11(9-12)10-7-8-10/h4-6,9-10H,7-8H2,1-3H3,(H,19,20).
What are the key properties of 4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid?
4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 301.41 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).