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

C19H14N2O2S2 — CID 10309171

IUPAC3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(CS(=O)c2ccccc2)n1
InChIInChI=1S/C19H14N2O2S2/c22-19-15(10-13-6-4-5-9-16(13)21-19)17-11-24-18(20-17)12-25(23)14-7-2-1-3-8-14/h1-11H,12H2,(H,21,22)
InChIKeyUQSJZZMWPULVAA-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.96
Rot. Bonds4

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

3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 10309171) has the molecular formula C19H14N2O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID10309171
Molecular FormulaC19H14N2O2S2
Molecular Weight366.47 g/mol
Exact Mass366.05
IUPAC Name3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(CS(=O)c2ccccc2)n1
InChIInChI=1S/C19H14N2O2S2/c22-19-15(10-13-6-4-5-9-16(13)21-19)17-11-24-18(20-17)12-25(23)14-7-2-1-3-8-14/h1-11H,12H2,(H,21,22)
InChIKeyUQSJZZMWPULVAA-UHFFFAOYSA-N
XLogP3.96
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 10309171) is 3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(CS(=O)c2ccccc2)n1.
What is the InChIKey of 3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is UQSJZZMWPULVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S2/c22-19-15(10-13-6-4-5-9-16(13)21-19)17-11-24-18(20-17)12-25(23)14-7-2-1-3-8-14/h1-11H,12H2,(H,21,22).
What are the key properties of 3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 366.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzenesulfinylmethyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 10309171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).