2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide

C14H8F2N4OS — CID 17191176

IUPAC2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1c(F)cccc1F
InChIInChI=1S/C14H8F2N4OS/c15-9-2-1-3-10(16)11(9)12(21)18-14-20-19-13(22-14)8-4-6-17-7-5-8/h1-7H,(H,18,20,21)
InChIKeyVNCIHZLFIXHSMP-UHFFFAOYSA-N
MW318.31 g/mol
LogP3.13
Rot. Bonds3

About 2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide

2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 17191176) has the molecular formula C14H8F2N4OS and a molecular weight of 318.31 g/mol. Its IUPAC name is 2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID17191176
Molecular FormulaC14H8F2N4OS
Molecular Weight318.31 g/mol
Exact Mass318.04
IUPAC Name2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1c(F)cccc1F
InChIInChI=1S/C14H8F2N4OS/c15-9-2-1-3-10(16)11(9)12(21)18-14-20-19-13(22-14)8-4-6-17-7-5-8/h1-7H,(H,18,20,21)
InChIKeyVNCIHZLFIXHSMP-UHFFFAOYSA-N
XLogP3.13
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 17191176) is 2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2ccncc2)s1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is VNCIHZLFIXHSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N4OS/c15-9-2-1-3-10(16)11(9)12(21)18-14-20-19-13(22-14)8-4-6-17-7-5-8/h1-7H,(H,18,20,21).
What are the key properties of 2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 318.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 17191176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).