N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

C18H24N4OS — CID 3498004

IUPACN-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESCC(C)CN(C(=O)C1CCCCC1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C18H24N4OS/c1-13(2)12-22(17(23)15-6-4-3-5-7-15)18-21-20-16(24-18)14-8-10-19-11-9-14/h8-11,13,15H,3-7,12H2,1-2H3
InChIKeyNIBMSMCWXLVBHB-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.17
Rot. Bonds5

About N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (PubChem CID 3498004) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
PubChem CID3498004
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
SMILESCC(C)CN(C(=O)C1CCCCC1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C18H24N4OS/c1-13(2)12-22(17(23)15-6-4-3-5-7-15)18-21-20-16(24-18)14-8-10-19-11-9-14/h8-11,13,15H,3-7,12H2,1-2H3
InChIKeyNIBMSMCWXLVBHB-UHFFFAOYSA-N
XLogP4.17
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide 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-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide (CID 3498004) is N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is CC(C)CN(C(=O)C1CCCCC1)c1nnc(-c2ccncc2)s1.
What is the InChIKey of N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is NIBMSMCWXLVBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13(2)12-22(17(23)15-6-4-3-5-7-15)18-21-20-16(24-18)14-8-10-19-11-9-14/h8-11,13,15H,3-7,12H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide?
N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 344.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 3498004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).