2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one

C15H13NO2S — CID 13375165

IUPAC2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one
SMILESCN1C(=O)C(c2ccc(O)cc2)Sc2ccccc21
InChIInChI=1S/C15H13NO2S/c1-16-12-4-2-3-5-13(12)19-14(15(16)18)10-6-8-11(17)9-7-10/h2-9,14,17H,1H3
InChIKeyLJDSIVBSGFOIMC-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.20
Rot. Bonds1

About 2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one

2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one (PubChem CID 13375165) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one
PubChem CID13375165
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one
SMILESCN1C(=O)C(c2ccc(O)cc2)Sc2ccccc21
InChIInChI=1S/C15H13NO2S/c1-16-12-4-2-3-5-13(12)19-14(15(16)18)10-6-8-11(17)9-7-10/h2-9,14,17H,1H3
InChIKeyLJDSIVBSGFOIMC-UHFFFAOYSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 14244691
5-(4-hydroxyphenyl)-3-methyl-1,3-thiazolidine-2,4-dione
CID 151816538
(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 51057199
2-(2,5-dimethoxyphenyl)-4-methyl-1,4-benzothiazin-3-one
CID 14244693
2-[4-[4-[2-(2-fluorophenoxy)ethylamino]butoxy]phenyl]-4-methyl-1,4-benzothiazin-3-one
CID 21284309
2-[4-[2-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]ethoxy]phenyl]-4-methyl-1,4-benzothiazin-3-one;oxalic acid
CID 14098994
2-[4-[4-[2-(2-chlorophenoxy)ethyl-ethylamino]butoxy]phenyl]-4-methyl-1,4-benzothiazin-3-one;hydrochloride
CID 21284332
4-methyl-2-[4-[5-[methyl-[(2,3,4-trimethoxyphenoxy)methyl]amino]pentoxy]phenyl]-1,4-benzothiazin-3-one;hydrochloride
CID 21284328
4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
CID 776564
4-[(E)-2-(3-methyl-2H-1,3-benzothiazol-2-yl)ethenyl]phenol
CID 175771585
(2S)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethylamino]propoxy]-5-hydroxyphenyl]-4-methyl-1,4-benzothiazin-3-one
CID 101013501
(2S)-2-(4-hydroxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7106412

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one?
The IUPAC name of 2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one (CID 13375165) is 2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one is CN1C(=O)C(c2ccc(O)cc2)Sc2ccccc21.
What is the InChIKey of 2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one?
The InChIKey is LJDSIVBSGFOIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-16-12-4-2-3-5-13(12)19-14(15(16)18)10-6-8-11(17)9-7-10/h2-9,14,17H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one?
2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one has a molecular weight of 271.34 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-4-methyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 13375165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).