N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide

C18H22N2OS — CID 118726192

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C18H22N2OS/c21-17(12-15-9-5-2-6-10-15)20-18-19-13-16(22-18)11-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,19,20,21)
InChIKeyPDDZUZFAPXJOGW-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.64
Rot. Bonds5

About N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide (PubChem CID 118726192) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
PubChem CID118726192
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C18H22N2OS/c21-17(12-15-9-5-2-6-10-15)20-18-19-13-16(22-18)11-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,19,20,21)
InChIKeyPDDZUZFAPXJOGW-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide 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 N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide (CID 118726192) is N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide?
The InChIKey is PDDZUZFAPXJOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c21-17(12-15-9-5-2-6-10-15)20-18-19-13-16(22-18)11-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,19,20,21).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide has a molecular weight of 314.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 118726192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).