N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide

C13H11ClFN3OS — CID 167871628

IUPACN-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide
SMILESO=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1csnn1
InChIInChI=1S/C13H11ClFN3OS/c14-9-3-1-2-8(4-9)13(15)5-10(6-13)16-12(19)11-7-20-18-17-11/h1-4,7,10H,5-6H2,(H,16,19)
InChIKeyRZKRPBMPVIFFOI-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.95
Rot. Bonds3

About N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide

N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide (PubChem CID 167871628) has the molecular formula C13H11ClFN3OS and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide
PubChem CID167871628
Molecular FormulaC13H11ClFN3OS
Molecular Weight311.77 g/mol
Exact Mass311.03
IUPAC NameN-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide
SMILESO=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1csnn1
InChIInChI=1S/C13H11ClFN3OS/c14-9-3-1-2-8(4-9)13(15)5-10(6-13)16-12(19)11-7-20-18-17-11/h1-4,7,10H,5-6H2,(H,16,19)
InChIKeyRZKRPBMPVIFFOI-UHFFFAOYSA-N
XLogP2.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-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-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide (CID 167871628) is N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide is O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1csnn1.
What is the InChIKey of N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide?
The InChIKey is RZKRPBMPVIFFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3OS/c14-9-3-1-2-8(4-9)13(15)5-10(6-13)16-12(19)11-7-20-18-17-11/h1-4,7,10H,5-6H2,(H,16,19).
What are the key properties of N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide?
N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-3-fluorocyclobutyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 167871628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).