N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

C16H7F7N4OS — CID 138583581

IUPACN-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cc(F)ccc2C(F)(F)F)ns1)c1cccnc1C(F)(F)F
InChIInChI=1S/C16H7F7N4OS/c17-7-3-4-10(15(18,19)20)9(6-7)12-25-14(29-27-12)26-13(28)8-2-1-5-24-11(8)16(21,22)23/h1-6H,(H,25,26,27,28)
InChIKeyAWAFFSFEOSMCKO-UHFFFAOYSA-N
MW436.31 g/mol
LogP5.03
Rot. Bonds3

About N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 138583581) has the molecular formula C16H7F7N4OS and a molecular weight of 436.31 g/mol. Its IUPAC name is N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID138583581
Molecular FormulaC16H7F7N4OS
Molecular Weight436.31 g/mol
Exact Mass436.02
IUPAC NameN-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cc(F)ccc2C(F)(F)F)ns1)c1cccnc1C(F)(F)F
InChIInChI=1S/C16H7F7N4OS/c17-7-3-4-10(15(18,19)20)9(6-7)12-25-14(29-27-12)26-13(28)8-2-1-5-24-11(8)16(21,22)23/h1-6H,(H,25,26,27,28)
InChIKeyAWAFFSFEOSMCKO-UHFFFAOYSA-N
XLogP5.03
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.31
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-(4-fluoro-3-(trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11583454
N-(3-(3,4-difluorophenyl)-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11618419
N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide
CID 155230450
N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 972506
N-(3-(2-fluoro-3-(trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11568815
N-(3-(2,4-difluorophenyl)-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11704251
N-(3-(3-fluoro-4-(trifluoromethyl)phenyl)-1,2,4-thiadiazol-5-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11684019
N-[5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 2988990
N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 4182318
N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 72118581
5-fluoro-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 75503355
4-(pyrimidin-4-ylamino)-N-[3-(3,4,5-trifluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 11604338

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 138583581) is N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1nc(-c2cc(F)ccc2C(F)(F)F)ns1)c1cccnc1C(F)(F)F.
What is the InChIKey of N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is AWAFFSFEOSMCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F7N4OS/c17-7-3-4-10(15(18,19)20)9(6-7)12-25-14(29-27-12)26-13(28)8-2-1-5-24-11(8)16(21,22)23/h1-6H,(H,25,26,27,28).
What are the key properties of N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 436.31 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 138583581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).