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

C15H12N2OS — CID 25230818

IUPAC2-(N-methylanilino)-1,3-benzothiazin-4-one
SMILESCN(c1ccccc1)c1nc(=O)c2ccccc2s1
InChIInChI=1S/C15H12N2OS/c1-17(11-7-3-2-4-8-11)15-16-14(18)12-9-5-6-10-13(12)19-15/h2-10H,1H3
InChIKeySHNATRWTSIIKHX-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.42
Rot. Bonds2

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

2-(N-methylanilino)-1,3-benzothiazin-4-one (PubChem CID 25230818) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(N-methylanilino)-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2-(N-methylanilino)-1,3-benzothiazin-4-one
PubChem CID25230818
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-(N-methylanilino)-1,3-benzothiazin-4-one
SMILESCN(c1ccccc1)c1nc(=O)c2ccccc2s1
InChIInChI=1S/C15H12N2OS/c1-17(11-7-3-2-4-8-11)15-16-14(18)12-9-5-6-10-13(12)19-15/h2-10H,1H3
InChIKeySHNATRWTSIIKHX-UHFFFAOYSA-N
XLogP3.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-1,3-benzothiazin-4-one?
The IUPAC name of 2-(N-methylanilino)-1,3-benzothiazin-4-one (CID 25230818) is 2-(N-methylanilino)-1,3-benzothiazin-4-one.
What is the SMILES notation for 2-(N-methylanilino)-1,3-benzothiazin-4-one?
The canonical SMILES for 2-(N-methylanilino)-1,3-benzothiazin-4-one is CN(c1ccccc1)c1nc(=O)c2ccccc2s1.
What is the InChIKey of 2-(N-methylanilino)-1,3-benzothiazin-4-one?
The InChIKey is SHNATRWTSIIKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-17(11-7-3-2-4-8-11)15-16-14(18)12-9-5-6-10-13(12)19-15/h2-10H,1H3.
What are the key properties of 2-(N-methylanilino)-1,3-benzothiazin-4-one?
2-(N-methylanilino)-1,3-benzothiazin-4-one has a molecular weight of 268.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-1,3-benzothiazin-4-one is sourced from PubChem (CID 25230818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).