6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one

C18H18N2OS — CID 59485224

IUPAC6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one
SMILESCc1ccc(N(C)c2nc(=O)c3cc(C)ccc3s2)c(C)c1
InChIInChI=1S/C18H18N2OS/c1-11-5-7-15(13(3)9-11)20(4)18-19-17(21)14-10-12(2)6-8-16(14)22-18/h5-10H,1-4H3
InChIKeyBYZIUYOMHWYGFC-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.35
Rot. Bonds2

About 6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one

6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one (PubChem CID 59485224) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one
PubChem CID59485224
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one
SMILESCc1ccc(N(C)c2nc(=O)c3cc(C)ccc3s2)c(C)c1
InChIInChI=1S/C18H18N2OS/c1-11-5-7-15(13(3)9-11)20(4)18-19-17(21)14-10-12(2)6-8-16(14)22-18/h5-10H,1-4H3
InChIKeyBYZIUYOMHWYGFC-UHFFFAOYSA-N
XLogP4.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one?
The IUPAC name of 6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one (CID 59485224) is 6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one.
What is the SMILES notation for 6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one?
The canonical SMILES for 6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one is Cc1ccc(N(C)c2nc(=O)c3cc(C)ccc3s2)c(C)c1.
What is the InChIKey of 6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one?
The InChIKey is BYZIUYOMHWYGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-11-5-7-15(13(3)9-11)20(4)18-19-17(21)14-10-12(2)6-8-16(14)22-18/h5-10H,1-4H3.
What are the key properties of 6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one?
6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one has a molecular weight of 310.42 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(N,2,4-trimethylanilino)-1,3-benzothiazin-4-one is sourced from PubChem (CID 59485224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).