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

C12H8N4OS2 — CID 1080952

IUPACN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccnc2)s1)c1cccs1
InChIInChI=1S/C12H8N4OS2/c17-10(9-4-2-6-18-9)14-12-16-15-11(19-12)8-3-1-5-13-7-8/h1-7H,(H,14,16,17)
InChIKeyHEAHIORVYMNWPQ-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.91
Rot. Bonds3

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

N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 1080952) has the molecular formula C12H8N4OS2 and a molecular weight of 288.36 g/mol. Its IUPAC name is N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID1080952
Molecular FormulaC12H8N4OS2
Molecular Weight288.36 g/mol
Exact Mass288.01
IUPAC NameN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccnc2)s1)c1cccs1
InChIInChI=1S/C12H8N4OS2/c17-10(9-4-2-6-18-9)14-12-16-15-11(19-12)8-3-1-5-13-7-8/h1-7H,(H,14,16,17)
InChIKeyHEAHIORVYMNWPQ-UHFFFAOYSA-N
XLogP2.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 1080952) is N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nnc(-c2cccnc2)s1)c1cccs1.
What is the InChIKey of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is HEAHIORVYMNWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4OS2/c17-10(9-4-2-6-18-9)14-12-16-15-11(19-12)8-3-1-5-13-7-8/h1-7H,(H,14,16,17).
What are the key properties of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1080952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).