4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide

C11H7F4N3OS — CID 135153514

IUPAC4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1snnc1CF
InChIInChI=1S/C11H7F4N3OS/c12-5-8-9(20-18-17-8)10(19)16-7-3-1-2-6(4-7)11(13,14)15/h1-4H,5H2,(H,16,19)
InChIKeyHYJUKXWIFKJRCR-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.28
Rot. Bonds3

About 4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide

4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (PubChem CID 135153514) has the molecular formula C11H7F4N3OS and a molecular weight of 305.26 g/mol. Its IUPAC name is 4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
PubChem CID135153514
Molecular FormulaC11H7F4N3OS
Molecular Weight305.26 g/mol
Exact Mass305.02
IUPAC Name4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1snnc1CF
InChIInChI=1S/C11H7F4N3OS/c12-5-8-9(20-18-17-8)10(19)16-7-3-1-2-6(4-7)11(13,14)15/h1-4H,5H2,(H,16,19)
InChIKeyHYJUKXWIFKJRCR-UHFFFAOYSA-N
XLogP3.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-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

Related Compounds

4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 135153632
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
CID 120604802
4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride
CID 90485584
4-(chloromethyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 135154080
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625234
2-(4-fluoroanilino)-4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30142300
4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 165436567
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride
CID 21152450

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (CID 135153514) is 4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1snnc1CF.
What is the InChIKey of 4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is HYJUKXWIFKJRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N3OS/c12-5-8-9(20-18-17-8)10(19)16-7-3-1-2-6(4-7)11(13,14)15/h1-4H,5H2,(H,16,19).
What are the key properties of 4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 305.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 135153514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).