2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C16H24N4O2S — CID 813400

IUPAC2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESC=CCN(CC(=O)Nc1nc(C)cs1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H24N4O2S/c1-3-9-20(16(22)18-13-7-5-4-6-8-13)10-14(21)19-15-17-12(2)11-23-15/h3,11,13H,1,4-10H2,2H3,(H,18,22)(H,17,19,21)
InChIKeyZUEBQLFEKLOWAB-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.92
Rot. Bonds6

About 2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 813400) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID813400
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESC=CCN(CC(=O)Nc1nc(C)cs1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H24N4O2S/c1-3-9-20(16(22)18-13-7-5-4-6-8-13)10-14(21)19-15-17-12(2)11-23-15/h3,11,13H,1,4-10H2,2H3,(H,18,22)(H,17,19,21)
InChIKeyZUEBQLFEKLOWAB-UHFFFAOYSA-N
XLogP2.92
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide 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-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 813400) is 2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is C=CCN(CC(=O)Nc1nc(C)cs1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZUEBQLFEKLOWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-3-9-20(16(22)18-13-7-5-4-6-8-13)10-14(21)19-15-17-12(2)11-23-15/h3,11,13H,1,4-10H2,2H3,(H,18,22)(H,17,19,21).
What are the key properties of 2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 336.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylcarbamoyl(prop-2-enyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 813400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).