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

C17H11N5O2S — CID 122188903

IUPAC2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1ccnc(-c2ccco2)c1
InChIInChI=1S/C17H11N5O2S/c23-15(12-5-8-19-13(10-12)14-2-1-9-24-14)20-17-22-21-16(25-17)11-3-6-18-7-4-11/h1-10H,(H,20,22,23)
InChIKeyKFMHTKYXELZYHF-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.51
Rot. Bonds4

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

2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide (PubChem CID 122188903) has the molecular formula C17H11N5O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
PubChem CID122188903
Molecular FormulaC17H11N5O2S
Molecular Weight349.38 g/mol
Exact Mass349.06
IUPAC Name2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1ccnc(-c2ccco2)c1
InChIInChI=1S/C17H11N5O2S/c23-15(12-5-8-19-13(10-12)14-2-1-9-24-14)20-17-22-21-16(25-17)11-3-6-18-7-4-11/h1-10H,(H,20,22,23)
InChIKeyKFMHTKYXELZYHF-UHFFFAOYSA-N
XLogP3.51
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 1245709
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(5-methyl-2-furyl)-4-quinolinecarboxamide
CID 5064757
2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2082785
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2088045
2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 2361954
2-(5-methylfuran-2-yl)-N-[5-(pyridin-4-yl)-1,3,4-thiadiazol-2-yl]quinoline-4-carboxamide
CID 1257050
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 2120387
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 44610292
US10130619, Example 43
CID 121407700
US10130619, Example 45
CID 121407784
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[2-(2-furyl)-3,5-diphenyl-pyrrol-1-yl]acetamide
CID 118710005
2-[2,3-bis(2-furyl)-5-phenyl-pyrrol-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 118710013

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide (CID 122188903) is 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide is O=C(Nc1nnc(-c2ccncc2)s1)c1ccnc(-c2ccco2)c1.
What is the InChIKey of 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is KFMHTKYXELZYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2S/c23-15(12-5-8-19-13(10-12)14-2-1-9-24-14)20-17-22-21-16(25-17)11-3-6-18-7-4-11/h1-10H,(H,20,22,23).
What are the key properties of 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 349.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 122188903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).