4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one

C17H12N2OS2 — CID 1258018

IUPAC4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one
SMILESO=c1cc(CSc2nc3ccccc3s2)c2ccccc2[nH]1
InChIInChI=1S/C17H12N2OS2/c20-16-9-11(12-5-1-2-6-13(12)18-16)10-21-17-19-14-7-3-4-8-15(14)22-17/h1-9H,10H2,(H,18,20)
InChIKeyZXKGWOIRZUHYOQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.43
Rot. Bonds3

About 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one

4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one (PubChem CID 1258018) has the molecular formula C17H12N2OS2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one
PubChem CID1258018
Molecular FormulaC17H12N2OS2
Molecular Weight324.43 g/mol
Exact Mass324.04
IUPAC Name4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one
SMILESO=c1cc(CSc2nc3ccccc3s2)c2ccccc2[nH]1
InChIInChI=1S/C17H12N2OS2/c20-16-9-11(12-5-1-2-6-13(12)18-16)10-21-17-19-14-7-3-4-8-15(14)22-17/h1-9H,10H2,(H,18,20)
InChIKeyZXKGWOIRZUHYOQ-UHFFFAOYSA-N
XLogP4.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Aminophenyl)benzothiazole
CID 234475
3-(1,3-Benzothiazol-2-yl)aniline
CID 720999
2-(1,3-Benzothiazol-2-yl)aniline
CID 667680
3-[2-(4-Amino-phenyl)-thiazol-4-yl]-1H-quinolin-2-one
CID 10149743
(1R,2R)-2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 10269099
3-[2-(Thiophen-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10286404
N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]acetamide
CID 2809628
Acetamide, N-(4-(2-benzothiazolyl)phenyl)-
CID 233871
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 685913
Acetic acid, (2-benzothiazolylthio)-, (phenylmethylene)hydrazide
CID 5334879
2-(Benzothiazol-2-ylsulfanyl)-1-phenyl-ethanone
CID 264060
4'-(6-Methyl-2-benzothiazolyl)acetanilide
CID 790687

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one?
The IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one (CID 1258018) is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one is O=c1cc(CSc2nc3ccccc3s2)c2ccccc2[nH]1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one?
The InChIKey is ZXKGWOIRZUHYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS2/c20-16-9-11(12-5-1-2-6-13(12)18-16)10-21-17-19-14-7-3-4-8-15(14)22-17/h1-9H,10H2,(H,18,20).
What are the key properties of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one?
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one has a molecular weight of 324.43 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 1258018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).