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

C17H12N2O3S3 — CID 10309500

IUPAC3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C17H12N2O3S3/c20-17-12(8-11-4-1-2-5-13(11)19-17)14-9-24-15(18-14)10-25(21,22)16-6-3-7-23-16/h1-9H,10H2,(H,19,20)
InChIKeyMCZGHPQYRSSJLZ-UHFFFAOYSA-N
MW388.50 g/mol
LogP3.69
Rot. Bonds4

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

3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 10309500) has the molecular formula C17H12N2O3S3 and a molecular weight of 388.50 g/mol. Its IUPAC name is 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID10309500
Molecular FormulaC17H12N2O3S3
Molecular Weight388.50 g/mol
Exact Mass388.00
IUPAC Name3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C17H12N2O3S3/c20-17-12(8-11-4-1-2-5-13(11)19-17)14-9-24-15(18-14)10-25(21,22)16-6-3-7-23-16/h1-9H,10H2,(H,19,20)
InChIKeyMCZGHPQYRSSJLZ-UHFFFAOYSA-N
XLogP3.69
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 10309500) is 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)(=O)c2cccs2)n1.
What is the InChIKey of 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is MCZGHPQYRSSJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S3/c20-17-12(8-11-4-1-2-5-13(11)19-17)14-9-24-15(18-14)10-25(21,22)16-6-3-7-23-16/h1-9H,10H2,(H,19,20).
What are the key properties of 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 388.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 10309500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).