5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid

C18H16FN3O2S — CID 118559903

IUPAC5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid
SMILESCc1c(F)cccc1C1(C(=O)O)Cc2nc(-c3ccnn3C)sc2C1
InChIInChI=1S/C18H16FN3O2S/c1-10-11(4-3-5-12(10)19)18(17(23)24)8-13-15(9-18)25-16(21-13)14-6-7-20-22(14)2/h3-7H,8-9H2,1-2H3,(H,23,24)
InChIKeyDDTMXJINBNQAIQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.11
Rot. Bonds3

About 5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid

5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid (PubChem CID 118559903) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid
PubChem CID118559903
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid
SMILESCc1c(F)cccc1C1(C(=O)O)Cc2nc(-c3ccnn3C)sc2C1
InChIInChI=1S/C18H16FN3O2S/c1-10-11(4-3-5-12(10)19)18(17(23)24)8-13-15(9-18)25-16(21-13)14-6-7-20-22(14)2/h3-7H,8-9H2,1-2H3,(H,23,24)
InChIKeyDDTMXJINBNQAIQ-UHFFFAOYSA-N
XLogP3.11
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][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

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid (CID 118559903) is 5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid is Cc1c(F)cccc1C1(C(=O)O)Cc2nc(-c3ccnn3C)sc2C1.
What is the InChIKey of 5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid?
The InChIKey is DDTMXJINBNQAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-10-11(4-3-5-12(10)19)18(17(23)24)8-13-15(9-18)25-16(21-13)14-6-7-20-22(14)2/h3-7H,8-9H2,1-2H3,(H,23,24).
What are the key properties of 5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid?
5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-methylphenyl)-2-(2-methylpyrazol-3-yl)-4,6-dihydrocyclopenta[d][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 118559903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).