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

C11H6F5N3OS — CID 135153632

IUPAC4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1snnc1C(F)F
InChIInChI=1S/C11H6F5N3OS/c12-9(13)7-8(21-19-18-7)10(20)17-6-3-1-2-5(4-6)11(14,15)16/h1-4,9H,(H,17,20)
InChIKeyURGFAQXZOWJYAV-UHFFFAOYSA-N
MW323.25 g/mol
LogP3.75
Rot. Bonds3

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

4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (PubChem CID 135153632) has the molecular formula C11H6F5N3OS and a molecular weight of 323.25 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
PubChem CID135153632
Molecular FormulaC11H6F5N3OS
Molecular Weight323.25 g/mol
Exact Mass323.02
IUPAC Name4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1snnc1C(F)F
InChIInChI=1S/C11H6F5N3OS/c12-9(13)7-8(21-19-18-7)10(20)17-6-3-1-2-5(4-6)11(14,15)16/h1-4,9H,(H,17,20)
InChIKeyURGFAQXZOWJYAV-UHFFFAOYSA-N
XLogP3.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(fluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide
CID 135153514
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
4-amino-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3-carboxamide;hydrochloride
CID 90485584
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625234
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide;hydrochloride
CID 21152450
N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110691166
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide (CID 135153632) is 4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1snnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is URGFAQXZOWJYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F5N3OS/c12-9(13)7-8(21-19-18-7)10(20)17-6-3-1-2-5(4-6)11(14,15)16/h1-4,9H,(H,17,20).
What are the key properties of 4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide?
4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 323.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[3-(trifluoromethyl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 135153632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).