N-(2-fluorophenyl)thiadiazole-4-carboxamide

C9H6FN3OS — CID 17011620

IUPACN-(2-fluorophenyl)thiadiazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1csnn1
InChIInChI=1S/C9H6FN3OS/c10-6-3-1-2-4-7(6)11-9(14)8-5-15-13-12-8/h1-5H,(H,11,14)
InChIKeyNGXBVSZFROKQIU-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.93
Rot. Bonds2

About N-(2-fluorophenyl)thiadiazole-4-carboxamide

N-(2-fluorophenyl)thiadiazole-4-carboxamide (PubChem CID 17011620) has the molecular formula C9H6FN3OS and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(2-fluorophenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)thiadiazole-4-carboxamide
PubChem CID17011620
Molecular FormulaC9H6FN3OS
Molecular Weight223.23 g/mol
Exact Mass223.02
IUPAC NameN-(2-fluorophenyl)thiadiazole-4-carboxamide
SMILESO=C(Nc1ccccc1F)c1csnn1
InChIInChI=1S/C9H6FN3OS/c10-6-3-1-2-4-7(6)11-9(14)8-5-15-13-12-8/h1-5H,(H,11,14)
InChIKeyNGXBVSZFROKQIU-UHFFFAOYSA-N
XLogP1.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)thiadiazole-4-carboxamide (CID 17011620) is N-(2-fluorophenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)thiadiazole-4-carboxamide is O=C(Nc1ccccc1F)c1csnn1.
What is the InChIKey of N-(2-fluorophenyl)thiadiazole-4-carboxamide?
The InChIKey is NGXBVSZFROKQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3OS/c10-6-3-1-2-4-7(6)11-9(14)8-5-15-13-12-8/h1-5H,(H,11,14).
What are the key properties of N-(2-fluorophenyl)thiadiazole-4-carboxamide?
N-(2-fluorophenyl)thiadiazole-4-carboxamide has a molecular weight of 223.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 17011620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).