1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one

C13H10N2OS2 — CID 21179246

IUPAC1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one
SMILESO=c1ccccn1CSc1nc2ccccc2s1
InChIInChI=1S/C13H10N2OS2/c16-12-7-3-4-8-15(12)9-17-13-14-10-5-1-2-6-11(10)18-13/h1-8H,9H2
InChIKeyDIEWTVNPLFOUAM-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.21
Rot. Bonds3

About 1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one

1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one (PubChem CID 21179246) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one
PubChem CID21179246
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one
SMILESO=c1ccccn1CSc1nc2ccccc2s1
InChIInChI=1S/C13H10N2OS2/c16-12-7-3-4-8-15(12)9-17-13-14-10-5-1-2-6-11(10)18-13/h1-8H,9H2
InChIKeyDIEWTVNPLFOUAM-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

calcium 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
CID 54604872
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
2-[(4-benzhydrylpiperazin-1-yl)methylsulfanyl]-1,3-benzothiazole
CID 4212167
2-(1,3-benzothiazol-2-ylsulfanyl)-N-chloro-N-phenylacetamide
CID 89019397
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(1H-pyrrol-2-yl)ethanone
CID 2117320
(3aR,4S,7S,7aR)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 98526108
2-(2-methylidenebutylsulfanyl)-1,3-benzothiazole
CID 118036989
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 40617475
4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 2707110
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 974241

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one?
The IUPAC name of 1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one (CID 21179246) is 1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one is O=c1ccccn1CSc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one?
The InChIKey is DIEWTVNPLFOUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c16-12-7-3-4-8-15(12)9-17-13-14-10-5-1-2-6-11(10)18-13/h1-8H,9H2.
What are the key properties of 1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one?
1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one has a molecular weight of 274.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-2-one is sourced from PubChem (CID 21179246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).