N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C13H20N2OS2 — CID 7499814

IUPACN-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NC2CCC(C)CC2)n1
InChIInChI=1S/C13H20N2OS2/c1-9-3-5-11(6-4-9)15-12(16)8-18-13-14-10(2)7-17-13/h7,9,11H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyXJNPLRJDKJJWTB-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.24
Rot. Bonds4

About N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 7499814) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID7499814
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC NameN-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCc1csc(SCC(=O)NC2CCC(C)CC2)n1
InChIInChI=1S/C13H20N2OS2/c1-9-3-5-11(6-4-9)15-12(16)8-18-13-14-10(2)7-17-13/h7,9,11H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyXJNPLRJDKJJWTB-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]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-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 7499814) is N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is Cc1csc(SCC(=O)NC2CCC(C)CC2)n1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XJNPLRJDKJJWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-9-3-5-11(6-4-9)15-12(16)8-18-13-14-10(2)7-17-13/h7,9,11H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 284.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7499814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).