2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

C14H13NO2S — CID 113395559

IUPAC2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESCc1ccccc1-c1nc2c(s1)CCC2C(=O)O
InChIInChI=1S/C14H13NO2S/c1-8-4-2-3-5-9(8)13-15-12-10(14(16)17)6-7-11(12)18-13/h2-5,10H,6-7H2,1H3,(H,16,17)
InChIKeyZQEBWYXMCORNHI-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.23
Rot. Bonds2

About 2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (PubChem CID 113395559) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
PubChem CID113395559
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESCc1ccccc1-c1nc2c(s1)CCC2C(=O)O
InChIInChI=1S/C14H13NO2S/c1-8-4-2-3-5-9(8)13-15-12-10(14(16)17)6-7-11(12)18-13/h2-5,10H,6-7H2,1H3,(H,16,17)
InChIKeyZQEBWYXMCORNHI-UHFFFAOYSA-N
XLogP3.23
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-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-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395624
2-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395638
2-(4-bromo-3,5-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 114329436
2-(2,3,4-trifluorophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 107935405
2-(6-methoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 114937608
(4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 42281824
4-cyclopropyl-2-(2-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82435959
2-(4-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
CID 106819031
2-(2-bromo-3,4-difluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
CID 107537454
2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 104592490
2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395633
2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 82081689

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (CID 113395559) is 2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is Cc1ccccc1-c1nc2c(s1)CCC2C(=O)O.
What is the InChIKey of 2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The InChIKey is ZQEBWYXMCORNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-8-4-2-3-5-9(8)13-15-12-10(14(16)17)6-7-11(12)18-13/h2-5,10H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid has a molecular weight of 259.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is sourced from PubChem (CID 113395559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).