2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone

C17H19NOS — CID 62367219

IUPAC2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone
SMILESO=C(Cc1csc(C2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C17H19NOS/c19-16(13-7-3-1-4-8-13)11-15-12-20-17(18-15)14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2
InChIKeyMEKNXCXULPIPCV-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.62
Rot. Bonds4

About 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone

2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone (PubChem CID 62367219) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone
PubChem CID62367219
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone
SMILESO=C(Cc1csc(C2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C17H19NOS/c19-16(13-7-3-1-4-8-13)11-15-12-20-17(18-15)14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2
InChIKeyMEKNXCXULPIPCV-UHFFFAOYSA-N
XLogP4.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone 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 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone?
The IUPAC name of 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone (CID 62367219) is 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone.
What is the SMILES notation for 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone?
The canonical SMILES for 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone is O=C(Cc1csc(C2CCCCC2)n1)c1ccccc1.
What is the InChIKey of 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone?
The InChIKey is MEKNXCXULPIPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-16(13-7-3-1-4-8-13)11-15-12-20-17(18-15)14-9-5-2-6-10-14/h1,3-4,7-8,12,14H,2,5-6,9-11H2.
What are the key properties of 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone?
2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone has a molecular weight of 285.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1,3-thiazol-4-yl)-1-phenylethanone is sourced from PubChem (CID 62367219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).