N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C13H20N2O2S — CID 4963600

IUPACN-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NC1CCCCCC1
InChIInChI=1S/C13H20N2O2S/c1-10-9-18-13(17)15(10)8-12(16)14-11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H,14,16)
InChIKeyLVDOQSZQXUPEMW-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.06
Rot. Bonds3

About N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 4963600) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID4963600
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1csc(=O)n1CC(=O)NC1CCCCCC1
InChIInChI=1S/C13H20N2O2S/c1-10-9-18-13(17)15(10)8-12(16)14-11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H,14,16)
InChIKeyLVDOQSZQXUPEMW-UHFFFAOYSA-N
XLogP2.06
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-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 N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 4963600) is N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1csc(=O)n1CC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is LVDOQSZQXUPEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-9-18-13(17)15(10)8-12(16)14-11-6-4-2-3-5-7-11/h9,11H,2-8H2,1H3,(H,14,16).
What are the key properties of N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 268.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 4963600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).