N-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide

C13H19F2N3OS — CID 175397213

IUPACN-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide
SMILESCC(C)c1snnc1C(=O)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C13H19F2N3OS/c1-8(2)11-10(16-17-20-11)12(19)18(3)9-4-6-13(14,15)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyIHUTUKYQYBBLBO-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.31
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide

N-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide (PubChem CID 175397213) has the molecular formula C13H19F2N3OS and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide
PubChem CID175397213
Molecular FormulaC13H19F2N3OS
Molecular Weight303.38 g/mol
Exact Mass303.12
IUPAC NameN-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide
SMILESCC(C)c1snnc1C(=O)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C13H19F2N3OS/c1-8(2)11-10(16-17-20-11)12(19)18(3)9-4-6-13(14,15)7-5-9/h8-9H,4-7H2,1-3H3
InChIKeyIHUTUKYQYBBLBO-UHFFFAOYSA-N
XLogP3.31
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-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-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide (CID 175397213) is N-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide is CC(C)c1snnc1C(=O)N(C)C1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide?
The InChIKey is IHUTUKYQYBBLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3OS/c1-8(2)11-10(16-17-20-11)12(19)18(3)9-4-6-13(14,15)7-5-9/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide?
N-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-N-methyl-5-propan-2-ylthiadiazole-4-carboxamide is sourced from PubChem (CID 175397213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).