3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one

C12H17NO2S — CID 115626502

IUPAC3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)C1CCCCC1
InChIInChI=1S/C12H17NO2S/c1-9-8-16-12(15)13(9)7-11(14)10-5-3-2-4-6-10/h8,10H,2-7H2,1H3
InChIKeyFNJRZRMVYQKFQY-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.37
Rot. Bonds3

About 3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one

3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 115626502) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one
PubChem CID115626502
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)C1CCCCC1
InChIInChI=1S/C12H17NO2S/c1-9-8-16-12(15)13(9)7-11(14)10-5-3-2-4-6-10/h8,10H,2-7H2,1H3
InChIKeyFNJRZRMVYQKFQY-UHFFFAOYSA-N
XLogP2.37
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one 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 3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one (CID 115626502) is 3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(=O)C1CCCCC1.
What is the InChIKey of 3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is FNJRZRMVYQKFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-8-16-12(15)13(9)7-11(14)10-5-3-2-4-6-10/h8,10H,2-7H2,1H3.
What are the key properties of 3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one?
3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 239.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyl-2-oxoethyl)-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 115626502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).