N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide

C19H23ClN2OS — CID 118726204

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C19H23ClN2OS/c20-16-8-4-7-15(11-16)12-17-13-21-19(24-17)22-18(23)10-9-14-5-2-1-3-6-14/h4,7-8,11,13-14H,1-3,5-6,9-10,12H2,(H,21,22,23)
InChIKeyBVTNMHFDMGKWFC-UHFFFAOYSA-N
MW362.93 g/mol
LogP5.69
Rot. Bonds6

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide (PubChem CID 118726204) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
PubChem CID118726204
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C19H23ClN2OS/c20-16-8-4-7-15(11-16)12-17-13-21-19(24-17)22-18(23)10-9-14-5-2-1-3-6-14/h4,7-8,11,13-14H,1-3,5-6,9-10,12H2,(H,21,22,23)
InChIKeyBVTNMHFDMGKWFC-UHFFFAOYSA-N
XLogP5.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.93
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide 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-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide (CID 118726204) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1ncc(Cc2cccc(Cl)c2)s1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
The InChIKey is BVTNMHFDMGKWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c20-16-8-4-7-15(11-16)12-17-13-21-19(24-17)22-18(23)10-9-14-5-2-1-3-6-14/h4,7-8,11,13-14H,1-3,5-6,9-10,12H2,(H,21,22,23).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide has a molecular weight of 362.93 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-cyclohexylpropanamide is sourced from PubChem (CID 118726204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).