2-(4-methylanilino)-4H-1,4-benzothiazin-3-one

C15H14N2OS — CID 3649400

IUPAC2-(4-methylanilino)-4H-1,4-benzothiazin-3-one
SMILESCc1ccc(NC2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C15H14N2OS/c1-10-6-8-11(9-7-10)16-15-14(18)17-12-4-2-3-5-13(12)19-15/h2-9,15-16H,1H3,(H,17,18)
InChIKeyCGTIJKGAMZLDAQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.48
Rot. Bonds2

About 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one

2-(4-methylanilino)-4H-1,4-benzothiazin-3-one (PubChem CID 3649400) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-(4-methylanilino)-4H-1,4-benzothiazin-3-one
PubChem CID3649400
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(4-methylanilino)-4H-1,4-benzothiazin-3-one
SMILESCc1ccc(NC2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C15H14N2OS/c1-10-6-8-11(9-7-10)16-15-14(18)17-12-4-2-3-5-13(12)19-15/h2-9,15-16H,1H3,(H,17,18)
InChIKeyCGTIJKGAMZLDAQ-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cinanserin
CID 5475158
7-Methyl-1,4-benzothiazin-3(4H)-one
CID 689104
2-phenyl-4H-1,4-benzothiazin-3-one
CID 234768
N-benzyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2802738
N-(2-methylphenyl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 954269
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide
CID 2574382
N-cyclohexyl-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 3690577
N-[2-[3-(dimethylamino)propylthio]phenyl]-3-phenyl-2-propenamide
CID 5913
4-(2-fluorobenzyl)-2H-benzo[b][1,4]thiazin-3(4H)-one
CID 3244415
N-(2,4-Dimethylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
CID 367690
(2E)-2-{[(4-methylphenyl)amino]methylidene}-3,4-dihydro-2H-1,4-benzothiazin-3-one
CID 1475210
N-benzyl-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetamide
CID 2449013

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one (CID 3649400) is 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one is Cc1ccc(NC2Sc3ccccc3NC2=O)cc1.
What is the InChIKey of 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one?
The InChIKey is CGTIJKGAMZLDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-6-8-11(9-7-10)16-15-14(18)17-12-4-2-3-5-13(12)19-15/h2-9,15-16H,1H3,(H,17,18).
What are the key properties of 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one?
2-(4-methylanilino)-4H-1,4-benzothiazin-3-one has a molecular weight of 270.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 3649400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).