N-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide

C13H19N3O2S — CID 20551697

IUPACN-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide
SMILESCC(=O)N(C(=O)c1snnc1C)C1CCCC(C)C1
InChIInChI=1S/C13H19N3O2S/c1-8-5-4-6-11(7-8)16(10(3)17)13(18)12-9(2)14-15-19-12/h8,11H,4-7H2,1-3H3
InChIKeyWCURMMRMJIXTGQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.41
Rot. Bonds2

About N-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide

N-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide (PubChem CID 20551697) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide
PubChem CID20551697
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide
SMILESCC(=O)N(C(=O)c1snnc1C)C1CCCC(C)C1
InChIInChI=1S/C13H19N3O2S/c1-8-5-4-6-11(7-8)16(10(3)17)13(18)12-9(2)14-15-19-12/h8,11H,4-7H2,1-3H3
InChIKeyWCURMMRMJIXTGQ-UHFFFAOYSA-N
XLogP2.41
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide?
The IUPAC name of N-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide (CID 20551697) is N-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide is CC(=O)N(C(=O)c1snnc1C)C1CCCC(C)C1.
What is the InChIKey of N-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide?
The InChIKey is WCURMMRMJIXTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8-5-4-6-11(7-8)16(10(3)17)13(18)12-9(2)14-15-19-12/h8,11H,4-7H2,1-3H3.
What are the key properties of N-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide?
N-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-4-methyl-N-(3-methylcyclohexyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 20551697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).