N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide

C13H8FN3OS2 — CID 100751902

IUPACN-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1snnc1-c1cccs1
InChIInChI=1S/C13H8FN3OS2/c14-8-3-5-9(6-4-8)15-13(18)12-11(16-17-20-12)10-2-1-7-19-10/h1-7H,(H,15,18)
InChIKeyGEFYQFCLPMWGGO-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.66
Rot. Bonds3

About N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide

N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide (PubChem CID 100751902) has the molecular formula C13H8FN3OS2 and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
PubChem CID100751902
Molecular FormulaC13H8FN3OS2
Molecular Weight305.36 g/mol
Exact Mass305.01
IUPAC NameN-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1snnc1-c1cccs1
InChIInChI=1S/C13H8FN3OS2/c14-8-3-5-9(6-4-8)15-13(18)12-11(16-17-20-12)10-2-1-7-19-10/h1-7H,(H,15,18)
InChIKeyGEFYQFCLPMWGGO-UHFFFAOYSA-N
XLogP3.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751925
N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752070
N-(2-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751885
N-(3-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751917
N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751617
N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751536
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752637
N-(4-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767935
N-(4-fluorophenyl)-2-oxo-6-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 110332039
N-(2-bromophenyl)-4-(4-fluorophenyl)thiadiazole-5-carboxamide
CID 100749567
morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone
CID 100752350

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide (CID 100751902) is N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1snnc1-c1cccs1.
What is the InChIKey of N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide?
The InChIKey is GEFYQFCLPMWGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3OS2/c14-8-3-5-9(6-4-8)15-13(18)12-11(16-17-20-12)10-2-1-7-19-10/h1-7H,(H,15,18).
What are the key properties of N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide?
N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 100751902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).