N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide

C13H7F3N4O2S — CID 122555409

IUPACN-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)ns1)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C13H7F3N4O2S/c14-13(15,16)9-5-4-8(22-9)11(21)19-12-18-10(20-23-12)7-3-1-2-6-17-7/h1-6H,(H,18,19,20,21)
InChIKeyHWNCYHSOKHHQMD-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.46
Rot. Bonds3

About N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide

N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide (PubChem CID 122555409) has the molecular formula C13H7F3N4O2S and a molecular weight of 340.29 g/mol. Its IUPAC name is N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide
PubChem CID122555409
Molecular FormulaC13H7F3N4O2S
Molecular Weight340.29 g/mol
Exact Mass340.02
IUPAC NameN-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)ns1)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C13H7F3N4O2S/c14-13(15,16)9-5-4-8(22-9)11(21)19-12-18-10(20-23-12)7-3-1-2-6-17-7/h1-6H,(H,18,19,20,21)
InChIKeyHWNCYHSOKHHQMD-UHFFFAOYSA-N
XLogP3.46
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)isoquinoline-7-carboxamide
CID 122555332
2-methoxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 122555372
2-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-5-pyridin-2-ylbenzamide
CID 99718268
4-piperidin-4-yloxy-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)pyridine-2-carboxamide
CID 122555393
N-(2-methylpropyl)-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
CID 65268791
N-[2-(4-fluorophenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-thiadiazol-5-amine
CID 70975125
N-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-yl]-4-(trifluoromethyl)benzamide
CID 122555301
5-[(4-fluorophenoxy)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 41163900
N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 138583581
2-chloro-N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 118077526
N-(5-cyano-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 122690848
4-methoxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-pyridin-2-ylbenzamide
CID 75389227

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide?
The IUPAC name of N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide (CID 122555409) is N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide?
The canonical SMILES for N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide is O=C(Nc1nc(-c2ccccn2)ns1)c1ccc(C(F)(F)F)o1.
What is the InChIKey of N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide?
The InChIKey is HWNCYHSOKHHQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4O2S/c14-13(15,16)9-5-4-8(22-9)11(21)19-12-18-10(20-23-12)7-3-1-2-6-17-7/h1-6H,(H,18,19,20,21).
What are the key properties of N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide?
N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide has a molecular weight of 340.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-yl-1,2,4-thiadiazol-5-yl)-5-(trifluoromethyl)furan-2-carboxamide is sourced from PubChem (CID 122555409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).