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

C13H11NO2S — CID 79979819

IUPAC2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C13H11NO2S/c15-13(16)11-7-17-12(14-11)10-5-3-9(4-6-10)8-1-2-8/h3-8H,1-2H2,(H,15,16)
InChIKeyIHMTVXVRONZOHX-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.39
Rot. Bonds3

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

2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 79979819) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID79979819
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C13H11NO2S/c15-13(16)11-7-17-12(14-11)10-5-3-9(4-6-10)8-1-2-8/h3-8H,1-2H2,(H,15,16)
InChIKeyIHMTVXVRONZOHX-UHFFFAOYSA-N
XLogP3.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
CID 79978534
2-[4-[(4-carboxypiperidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160284
4-bromo-2-(4-cyclobutylphenyl)-1,3-thiazole
CID 116506859
2-[4-(4-methylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987125
2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 87450920
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79980351
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 75486944
2-[4-[[bis(prop-2-enyl)amino]methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160338
[3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 166397782

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid (CID 79979819) is 2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccc(C3CC3)cc2)n1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is IHMTVXVRONZOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-13(16)11-7-17-12(14-11)10-5-3-9(4-6-10)8-1-2-8/h3-8H,1-2H2,(H,15,16).
What are the key properties of 2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid?
2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 245.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 79979819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).