N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

C15H11FN4OS — CID 860530

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cccnc1
InChIInChI=1S/C15H11FN4OS/c16-12-5-3-10(4-6-12)8-13-19-20-15(22-13)18-14(21)11-2-1-7-17-9-11/h1-7,9H,8H2,(H,18,20,21)
InChIKeyLFTYIXJHVSWIAV-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.92
Rot. Bonds4

About N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide

N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 860530) has the molecular formula C15H11FN4OS and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
PubChem CID860530
Molecular FormulaC15H11FN4OS
Molecular Weight314.35 g/mol
Exact Mass314.06
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cccnc1
InChIInChI=1S/C15H11FN4OS/c16-12-5-3-10(4-6-12)8-13-19-20-15(22-13)18-14(21)11-2-1-7-17-9-11/h1-7,9H,8H2,(H,18,20,21)
InChIKeyLFTYIXJHVSWIAV-UHFFFAOYSA-N
XLogP2.92
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (CID 860530) is N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cccnc1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is LFTYIXJHVSWIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4OS/c16-12-5-3-10(4-6-12)8-13-19-20-15(22-13)18-14(21)11-2-1-7-17-9-11/h1-7,9H,8H2,(H,18,20,21).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 860530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).