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

C12H8N4O2S — CID 3929835

IUPACN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1ccco1
InChIInChI=1S/C12H8N4O2S/c17-10(9-2-1-7-18-9)14-12-16-15-11(19-12)8-3-5-13-6-4-8/h1-7H,(H,14,16,17)
InChIKeyISNYWXGVADOUCZ-UHFFFAOYSA-N
MW272.29 g/mol
LogP2.45
Rot. Bonds3

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

N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 3929835) has the molecular formula C12H8N4O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID3929835
Molecular FormulaC12H8N4O2S
Molecular Weight272.29 g/mol
Exact Mass272.04
IUPAC NameN-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1ccco1
InChIInChI=1S/C12H8N4O2S/c17-10(9-2-1-7-18-9)14-12-16-15-11(19-12)8-3-5-13-6-4-8/h1-7H,(H,14,16,17)
InChIKeyISNYWXGVADOUCZ-UHFFFAOYSA-N
XLogP2.45
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
CID 758295
Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
2-{[4-(Furan-2-ylmethyl)-5-(pyridin-4-YL)-1,2,4-triazol-3-YL]sulfanyl}-N,N-dimethylacetamide
CID 1154984
Furan-2-yl-[5-(furan-2-ylmethylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
CID 4580065
Furan-2-carboxylic acid ethyl-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 24792448
5-methyl-N-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 1245709
N-[(4-methylpyridin-2-yl)carbamothioyl]furan-2-carboxamide
CID 875154
N-(furan-2-ylmethyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1081414
2-methyl-N-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]-3-furamide
CID 1245776
N-(furan-2-ylmethyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1291211
[5-(Benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
CID 4530751
N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 5309442

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 3929835) is N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is O=C(Nc1nnc(-c2ccncc2)s1)c1ccco1.
What is the InChIKey of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is ISNYWXGVADOUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2S/c17-10(9-2-1-7-18-9)14-12-16-15-11(19-12)8-3-5-13-6-4-8/h1-7H,(H,14,16,17).
What are the key properties of N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 272.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 3929835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).