N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C14H10N4OS — CID 19256577

IUPACN-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cccnc1
InChIInChI=1S/C14H10N4OS/c19-12(11-7-4-8-15-9-11)16-14-18-17-13(20-14)10-5-2-1-3-6-10/h1-9H,(H,16,18,19)
InChIKeyCGGGHTQDUHAODV-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.85
Rot. Bonds3

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

N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 19256577) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID19256577
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC NameN-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1cccnc1
InChIInChI=1S/C14H10N4OS/c19-12(11-7-4-8-15-9-11)16-14-18-17-13(20-14)10-5-2-1-3-6-10/h1-9H,(H,16,18,19)
InChIKeyCGGGHTQDUHAODV-UHFFFAOYSA-N
XLogP2.85
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 19256577) is N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nnc(-c2ccccc2)s1)c1cccnc1.
What is the InChIKey of N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is CGGGHTQDUHAODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c19-12(11-7-4-8-15-9-11)16-14-18-17-13(20-14)10-5-2-1-3-6-10/h1-9H,(H,16,18,19).
What are the key properties of N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 19256577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).