N-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide

C12H17N3O2S — CID 20551689

IUPACN-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide
SMILESCC(=O)N(C(=O)c1snnc1C)C1CCCCC1
InChIInChI=1S/C12H17N3O2S/c1-8-11(18-14-13-8)12(17)15(9(2)16)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3
InChIKeyQXFKJTRCBBPQHE-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.17
Rot. Bonds2

About N-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide

N-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide (PubChem CID 20551689) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide
PubChem CID20551689
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide
SMILESCC(=O)N(C(=O)c1snnc1C)C1CCCCC1
InChIInChI=1S/C12H17N3O2S/c1-8-11(18-14-13-8)12(17)15(9(2)16)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3
InChIKeyQXFKJTRCBBPQHE-UHFFFAOYSA-N
XLogP2.17
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide 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-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide (CID 20551689) is N-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide is CC(=O)N(C(=O)c1snnc1C)C1CCCCC1.
What is the InChIKey of N-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide?
The InChIKey is QXFKJTRCBBPQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8-11(18-14-13-8)12(17)15(9(2)16)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3.
What are the key properties of N-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide?
N-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-cyclohexyl-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 20551689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).