2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid

C13H10ClNO2S — CID 98022837

IUPAC2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cccc(Cl)c2)nc1C1CC1
InChIInChI=1S/C13H10ClNO2S/c14-9-3-1-2-8(6-9)12-15-10(7-4-5-7)11(18-12)13(16)17/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyHAPSQYYQNZOFAQ-UHFFFAOYSA-N
MW279.75 g/mol
LogP4.04
Rot. Bonds3

About 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid

2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid (PubChem CID 98022837) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
PubChem CID98022837
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC Name2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-c2cccc(Cl)c2)nc1C1CC1
InChIInChI=1S/C13H10ClNO2S/c14-9-3-1-2-8(6-9)12-15-10(7-4-5-7)11(18-12)13(16)17/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyHAPSQYYQNZOFAQ-UHFFFAOYSA-N
XLogP4.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-2-(2,5-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114076223
4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98028668
4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82488839
4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114360248
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
2-(3-chlorophenyl)-4-(2-hydroxyethyl)-1,3-thiazole-5-carboxylic acid
CID 68808915
4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid
CID 114360605
N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114367891
4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920329
[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 32889545
1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 82437284
1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid (CID 98022837) is 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-c2cccc(Cl)c2)nc1C1CC1.
What is the InChIKey of 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HAPSQYYQNZOFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c14-9-3-1-2-8(6-9)12-15-10(7-4-5-7)11(18-12)13(16)17/h1-3,6-7H,4-5H2,(H,16,17).
What are the key properties of 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid?
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 279.75 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 98022837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).