N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

C16H22N4OS2 — CID 17425856

IUPACN-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1nccn1C)C(=O)N(c1nccs1)C1CCCCC1
InChIInChI=1S/C16H22N4OS2/c1-12(23-15-17-8-10-19(15)2)14(21)20(16-18-9-11-22-16)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3
InChIKeyPKULCUWGWPZWTQ-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.72
Rot. Bonds5

About N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 17425856) has the molecular formula C16H22N4OS2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID17425856
Molecular FormulaC16H22N4OS2
Molecular Weight350.51 g/mol
Exact Mass350.12
IUPAC NameN-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Sc1nccn1C)C(=O)N(c1nccs1)C1CCCCC1
InChIInChI=1S/C16H22N4OS2/c1-12(23-15-17-8-10-19(15)2)14(21)20(16-18-9-11-22-16)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3
InChIKeyPKULCUWGWPZWTQ-UHFFFAOYSA-N
XLogP3.72
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide 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-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 17425856) is N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is CC(Sc1nccn1C)C(=O)N(c1nccs1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PKULCUWGWPZWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS2/c1-12(23-15-17-8-10-19(15)2)14(21)20(16-18-9-11-22-16)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 350.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 17425856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).