2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one

C15H13NOS — CID 13293493

IUPAC2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one
SMILESCC1(c2ccccc2)Sc2ccccc2NC1=O
InChIInChI=1S/C15H13NOS/c1-15(11-7-3-2-4-8-11)14(17)16-12-9-5-6-10-13(12)18-15/h2-10H,1H3,(H,16,17)
InChIKeyWHRGZEBVRCFBGK-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.65
Rot. Bonds1

About 2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one

2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one (PubChem CID 13293493) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one
PubChem CID13293493
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one
SMILESCC1(c2ccccc2)Sc2ccccc2NC1=O
InChIInChI=1S/C15H13NOS/c1-15(11-7-3-2-4-8-11)14(17)16-12-9-5-6-10-13(12)18-15/h2-10H,1H3,(H,16,17)
InChIKeyWHRGZEBVRCFBGK-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 13293492
2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-2-carboxamide
CID 75767660
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
carbanylium;ethane;2,2'-spirobi[1,3-benzodithiole]
CID 158405402
2-(1-adamantylimino)-5-methyl-5-phenyl-1,3-thiazolidin-4-one
CID 135989704
ethane;10H-phenothiazine
CID 90730014
4-[(2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbonyl)amino]butanoic acid
CID 75796903
ethane;(2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)-4H-1,4-benzothiazin-3-one
CID 91495993
ethane;(2E)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)-4H-1,4-benzothiazin-3-one
CID 91164404
3,3-dimethyl-1,4-dihydroquinoxalin-2-one;ethane
CID 90978779
(3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine
CID 177471247
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75769184

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one (CID 13293493) is 2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one is CC1(c2ccccc2)Sc2ccccc2NC1=O.
What is the InChIKey of 2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one?
The InChIKey is WHRGZEBVRCFBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-15(11-7-3-2-4-8-11)14(17)16-12-9-5-6-10-13(12)18-15/h2-10H,1H3,(H,16,17).
What are the key properties of 2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one?
2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one has a molecular weight of 255.34 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 13293493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).