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

C21H13N5O2S — CID 122188901

IUPAC2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H13N5O2S/c27-19(24-21-26-25-20(29-21)13-7-9-22-10-8-13)15-12-17(18-6-3-11-28-18)23-16-5-2-1-4-14(15)16/h1-12H,(H,24,26,27)
InChIKeyPAWOEKZFVRMLKE-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.66
Rot. Bonds4

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

2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 122188901) has the molecular formula C21H13N5O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
PubChem CID122188901
Molecular FormulaC21H13N5O2S
Molecular Weight399.44 g/mol
Exact Mass399.08
IUPAC Name2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C21H13N5O2S/c27-19(24-21-26-25-20(29-21)13-7-9-22-10-8-13)15-12-17(18-6-3-11-28-18)23-16-5-2-1-4-14(15)16/h1-12H,(H,24,26,27)
InChIKeyPAWOEKZFVRMLKE-UHFFFAOYSA-N
XLogP4.66
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-methyl-2-furyl)-N-(2-pyridinyl)-4-quinolinecarboxamide
CID 1221931
2-(5-methyl-2-furyl)-N-1,3-thiazol-2-yl-4-quinolinecarboxamide
CID 1358325
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-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2366866
2-(furan-2-yl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 9661316
2-(furan-2-yl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 2361954
2-(5-methylfuran-2-yl)-N-(5-methylpyridin-2-yl)quinoline-4-carboxamide
CID 868798
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

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (CID 122188901) is 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nnc(-c2ccncc2)s1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is PAWOEKZFVRMLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O2S/c27-19(24-21-26-25-20(29-21)13-7-9-22-10-8-13)15-12-17(18-6-3-11-28-18)23-16-5-2-1-4-14(15)16/h1-12H,(H,24,26,27).
What are the key properties of 2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
2-(furan-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 4.66, 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)quinoline-4-carboxamide is sourced from PubChem (CID 122188901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).