2-quinolin-2-yl-1,2-benzothiazol-3-one

C16H10N2OS — CID 101126487

IUPAC2-quinolin-2-yl-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1ccc2ccccc2n1
InChIInChI=1S/C16H10N2OS/c19-16-12-6-2-4-8-14(12)20-18(16)15-10-9-11-5-1-3-7-13(11)17-15/h1-10H
InChIKeyBKNQZPGSOMMUOS-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.60
Rot. Bonds1

About 2-quinolin-2-yl-1,2-benzothiazol-3-one

2-quinolin-2-yl-1,2-benzothiazol-3-one (PubChem CID 101126487) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-quinolin-2-yl-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-quinolin-2-yl-1,2-benzothiazol-3-one
PubChem CID101126487
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name2-quinolin-2-yl-1,2-benzothiazol-3-one
SMILESO=c1c2ccccc2sn1-c1ccc2ccccc2n1
InChIInChI=1S/C16H10N2OS/c19-16-12-6-2-4-8-14(12)20-18(16)15-10-9-11-5-1-3-7-13(11)17-15/h1-10H
InChIKeyBKNQZPGSOMMUOS-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,2-benzothiazol-3-one
CID 81435140
1,1-dioxo-2-quinolin-2-yl-1,2-benzothiazol-3-one
CID 162419792
2-(2,4,6-trimethylphenyl)-1,2-benzothiazol-3-one
CID 22416219
2-(6-methoxy-1,3-benzothiazol-2-yl)-1,2-benzothiazol-3-one
CID 2328639
2-(quinolin-2-ylmethyl)phthalazin-1-one
CID 72909560
1-quinolin-2-ylquinoxalin-2-one
CID 162418555
2-(8-aminoquinolin-5-yl)-1,2-benzothiazol-3-one
CID 104826612
1-quinolin-2-yl-3H-indol-2-one
CID 174510331
4-(3-oxo-1,2-benzothiazol-2-yl)benzenecarbothioamide
CID 81434392
2-[2-(1-aminoethyl)phenyl]-1,2-benzothiazol-3-one
CID 81434576
2-[4-(1,3-dioxolan-2-yl)phenyl]-1,2-benzothiazol-3-one
CID 123362665
2-(4-fluoro-3-methylphenyl)-1,2-benzothiazol-3-one
CID 172877195

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-yl-1,2-benzothiazol-3-one?
The IUPAC name of 2-quinolin-2-yl-1,2-benzothiazol-3-one (CID 101126487) is 2-quinolin-2-yl-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-quinolin-2-yl-1,2-benzothiazol-3-one?
The canonical SMILES for 2-quinolin-2-yl-1,2-benzothiazol-3-one is O=c1c2ccccc2sn1-c1ccc2ccccc2n1.
What is the InChIKey of 2-quinolin-2-yl-1,2-benzothiazol-3-one?
The InChIKey is BKNQZPGSOMMUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c19-16-12-6-2-4-8-14(12)20-18(16)15-10-9-11-5-1-3-7-13(11)17-15/h1-10H.
What are the key properties of 2-quinolin-2-yl-1,2-benzothiazol-3-one?
2-quinolin-2-yl-1,2-benzothiazol-3-one has a molecular weight of 278.34 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-yl-1,2-benzothiazol-3-one is sourced from PubChem (CID 101126487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).