5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one

C13H12N2O2S — CID 142844223

IUPAC5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one
SMILESCC1C=C(n2sc3ccc(O)cc3c2=O)C=CN1
InChIInChI=1S/C13H12N2O2S/c1-8-6-9(4-5-14-8)15-13(17)11-7-10(16)2-3-12(11)18-15/h2-8,14,16H,1H3
InChIKeyCDQABEWDYQGRRX-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.11
Rot. Bonds1

About 5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one

5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one (PubChem CID 142844223) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one
PubChem CID142844223
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one
SMILESCC1C=C(n2sc3ccc(O)cc3c2=O)C=CN1
InChIInChI=1S/C13H12N2O2S/c1-8-6-9(4-5-14-8)15-13(17)11-7-10(16)2-3-12(11)18-15/h2-8,14,16H,1H3
InChIKeyCDQABEWDYQGRRX-UHFFFAOYSA-N
XLogP2.11
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-2-(2-phenylethyl)-1,2-benzothiazol-3-one
CID 155554740
2-(3-Hydroxybenzyl)benzo[d]isothiazol-3(2h)-one
CID 102056950
2-Benzyl-5-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
CID 21304748
5-Hydroxy-6-methyl-2-propan-2-yl-1,2-benzothiazol-3-one
CID 118546814
5-Hydroxy-1,2-benzothiazol-3-one
CID 119086836
5-Hydroxy-2-[4-(5-hydroxy-3-oxo-1,2-benzothiazol-2-yl)butyl]-1,2-benzothiazol-3-one
CID 169968365
5-Hydroxy-2-[3-(5-hydroxy-3-oxo-1,2-benzothiazol-2-yl)propyl]-1,2-benzothiazol-3-one
CID 170322106
N-[3-[(3-hydroxybenzoyl)amino]propyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 56413696

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one?
The IUPAC name of 5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one (CID 142844223) is 5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one?
The canonical SMILES for 5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one is CC1C=C(n2sc3ccc(O)cc3c2=O)C=CN1.
What is the InChIKey of 5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one?
The InChIKey is CDQABEWDYQGRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-8-6-9(4-5-14-8)15-13(17)11-7-10(16)2-3-12(11)18-15/h2-8,14,16H,1H3.
What are the key properties of 5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one?
5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one has a molecular weight of 260.32 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 142844223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).