4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid

C10H13NO2S — CID 58125089

IUPAC4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid
SMILESCC(C)C1CCc2sc(C(=O)O)nc21
InChIInChI=1S/C10H13NO2S/c1-5(2)6-3-4-7-8(6)11-9(14-7)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyJQWPBNSHUUJFRC-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.53
Rot. Bonds2

About 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid

4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid (PubChem CID 58125089) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid
PubChem CID58125089
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid
SMILESCC(C)C1CCc2sc(C(=O)O)nc21
InChIInChI=1S/C10H13NO2S/c1-5(2)6-3-4-7-8(6)11-9(14-7)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyJQWPBNSHUUJFRC-UHFFFAOYSA-N
XLogP2.53
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-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 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid (CID 58125089) is 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid is CC(C)C1CCc2sc(C(=O)O)nc21.
What is the InChIKey of 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid?
The InChIKey is JQWPBNSHUUJFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-5(2)6-3-4-7-8(6)11-9(14-7)10(12)13/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid?
4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 58125089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).