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

C13H11NO2S — CID 79978534

IUPAC2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccccc2C2CC2)n1
InChIInChI=1S/C13H11NO2S/c15-13(16)11-7-17-12(14-11)10-4-2-1-3-9(10)8-5-6-8/h1-4,7-8H,5-6H2,(H,15,16)
InChIKeyAGSPVRHDOMPGOF-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.39
Rot. Bonds3

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

2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 79978534) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID79978534
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccccc2C2CC2)n1
InChIInChI=1S/C13H11NO2S/c15-13(16)11-7-17-12(14-11)10-4-2-1-3-9(10)8-5-6-8/h1-4,7-8H,5-6H2,(H,15,16)
InChIKeyAGSPVRHDOMPGOF-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-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
CID 79979819
2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid
CID 130581375
N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79976896
5-(2-cycloheptylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117459601
2-(2-iodo-3-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 169498576
2-(2-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 82676392
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599
1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166630
2-(2,3-dihydro-1-benzofuran-3-ylamino)-1,3-thiazole-4-carboxylic acid
CID 80568532
2-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 83294123

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid (CID 79978534) is 2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccccc2C2CC2)n1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is AGSPVRHDOMPGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-13(16)11-7-17-12(14-11)10-4-2-1-3-9(10)8-5-6-8/h1-4,7-8H,5-6H2,(H,15,16).
What are the key properties of 2-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid?
2-(2-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-(2-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 79978534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).