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

C22H15N5O2S — CID 1257050

IUPAC2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)o1
InChIInChI=1S/C22H15N5O2S/c1-13-6-7-19(29-13)18-12-16(15-4-2-3-5-17(15)24-18)20(28)25-22-27-26-21(30-22)14-8-10-23-11-9-14/h2-12H,1H3,(H,25,27,28)
InChIKeyZXRTUBHUTXPXNM-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.97
Rot. Bonds4

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

2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 1257050) has the molecular formula C22H15N5O2S and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
PubChem CID1257050
Molecular FormulaC22H15N5O2S
Molecular Weight413.46 g/mol
Exact Mass413.09
IUPAC Name2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)o1
InChIInChI=1S/C22H15N5O2S/c1-13-6-7-19(29-13)18-12-16(15-4-2-3-5-17(15)24-18)20(28)25-22-27-26-21(30-22)14-8-10-23-11-9-14/h2-12H,1H3,(H,25,27,28)
InChIKeyZXRTUBHUTXPXNM-UHFFFAOYSA-N
XLogP4.97
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (CID 1257050) is 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is ZXRTUBHUTXPXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2S/c1-13-6-7-19(29-13)18-12-16(15-4-2-3-5-17(15)24-18)20(28)25-22-27-26-21(30-22)14-8-10-23-11-9-14/h2-12H,1H3,(H,25,27,28).
What are the key properties of 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1257050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).