N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C12H19N3OS2 — CID 7474380

IUPACN-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CCC(C)CC2)s1
InChIInChI=1S/C12H19N3OS2/c1-8-3-5-10(6-4-8)13-11(16)7-17-12-15-14-9(2)18-12/h8,10H,3-7H2,1-2H3,(H,13,16)
InChIKeyJQBYOLBZYBNVNP-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.63
Rot. Bonds4

About N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 7474380) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID7474380
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC NameN-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CCC(C)CC2)s1
InChIInChI=1S/C12H19N3OS2/c1-8-3-5-10(6-4-8)13-11(16)7-17-12-15-14-9(2)18-12/h8,10H,3-7H2,1-2H3,(H,13,16)
InChIKeyJQBYOLBZYBNVNP-UHFFFAOYSA-N
XLogP2.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 7474380) is N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NC2CCC(C)CC2)s1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is JQBYOLBZYBNVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-8-3-5-10(6-4-8)13-11(16)7-17-12-15-14-9(2)18-12/h8,10H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 285.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7474380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).