2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one

C16H14N2OS — CID 747378

IUPAC2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one
SMILESCc1ccc(Nc2nc3ccccc3c(=O)s2)cc1C
InChIInChI=1S/C16H14N2OS/c1-10-7-8-12(9-11(10)2)17-16-18-14-6-4-3-5-13(14)15(19)20-16/h3-9H,1-2H3,(H,17,18)
InChIKeySVELJKVKSCTKGB-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.02
Rot. Bonds2

About 2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one

2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one (PubChem CID 747378) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one
PubChem CID747378
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one
SMILESCc1ccc(Nc2nc3ccccc3c(=O)s2)cc1C
InChIInChI=1S/C16H14N2OS/c1-10-7-8-12(9-11(10)2)17-16-18-14-6-4-3-5-13(14)15(19)20-16/h3-9H,1-2H3,(H,17,18)
InChIKeySVELJKVKSCTKGB-UHFFFAOYSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2557019
3-Methyl-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020007
2-(3,4-dimethylanilino)-4(3H)-quinazolinone
CID 135439662
4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-
CID 63761
2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 680931
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776
2-[(4-ethylphenyl)amino]-4H-3,1-benzothiazin-4-one
CID 2905565
2-(2-Methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 3245237
N-(2,3-dihydro-1H-inden-5-yl)-2-[[3-(2-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide
CID 2482839
2-(3-Methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 3238944
Stk723913
CID 135408573
Acetamide, 2-((3,4-dihydro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl)thio)-
CID 921905

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one?
The IUPAC name of 2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one (CID 747378) is 2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one.
What is the SMILES notation for 2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one?
The canonical SMILES for 2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one is Cc1ccc(Nc2nc3ccccc3c(=O)s2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one?
The InChIKey is SVELJKVKSCTKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-10-7-8-12(9-11(10)2)17-16-18-14-6-4-3-5-13(14)15(19)20-16/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one?
2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one has a molecular weight of 282.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-3,1-benzothiazin-4-one is sourced from PubChem (CID 747378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).