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

C18H13N3O2S — CID 1358325

IUPAC2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)o1
InChIInChI=1S/C18H13N3O2S/c1-11-6-7-16(23-11)15-10-13(12-4-2-3-5-14(12)20-15)17(22)21-18-19-8-9-24-18/h2-10H,1H3,(H,19,21,22)
InChIKeyRHNBVKALIHUDKQ-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.51
Rot. Bonds3

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

2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 1358325) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID1358325
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)o1
InChIInChI=1S/C18H13N3O2S/c1-11-6-7-16(23-11)15-10-13(12-4-2-3-5-14(12)20-15)17(22)21-18-19-8-9-24-18/h2-10H,1H3,(H,19,21,22)
InChIKeyRHNBVKALIHUDKQ-UHFFFAOYSA-N
XLogP4.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 1358325) is 2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is RHNBVKALIHUDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-11-6-7-16(23-11)15-10-13(12-4-2-3-5-14(12)20-15)17(22)21-18-19-8-9-24-18/h2-10H,1H3,(H,19,21,22).
What are the key properties of 2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1358325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).