3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

C20H12N2OS3 — CID 22638521

IUPAC3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2ccc(-c3cccs3)s2)n1
InChIInChI=1S/C20H12N2OS3/c23-19-13(10-12-4-1-2-5-14(12)21-19)15-11-25-20(22-15)18-8-7-17(26-18)16-6-3-9-24-16/h1-11H,(H,21,23)
InChIKeyVCRQYIBEGYBLLD-UHFFFAOYSA-N
MW392.53 g/mol
LogP6.11
Rot. Bonds3

About 3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 22638521) has the molecular formula C20H12N2OS3 and a molecular weight of 392.53 g/mol. Its IUPAC name is 3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID22638521
Molecular FormulaC20H12N2OS3
Molecular Weight392.53 g/mol
Exact Mass392.01
IUPAC Name3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2ccc(-c3cccs3)s2)n1
InChIInChI=1S/C20H12N2OS3/c23-19-13(10-12-4-1-2-5-14(12)21-19)15-11-25-20(22-15)18-8-7-17(26-18)16-6-3-9-24-16/h1-11H,(H,21,23)
InChIKeyVCRQYIBEGYBLLD-UHFFFAOYSA-N
XLogP6.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 22638521) is 3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(-c2ccc(-c3cccs3)s2)n1.
What is the InChIKey of 3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is VCRQYIBEGYBLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2OS3/c23-19-13(10-12-4-1-2-5-14(12)21-19)15-11-25-20(22-15)18-8-7-17(26-18)16-6-3-9-24-16/h1-11H,(H,21,23).
What are the key properties of 3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 392.53 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 22638521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).