2,5-dimethyl-4H-1,4-benzothiazin-3-one

C10H11NOS — CID 84619183

IUPAC2,5-dimethyl-4H-1,4-benzothiazin-3-one
SMILESCc1cccc2c1NC(=O)C(C)S2
InChIInChI=1S/C10H11NOS/c1-6-4-3-5-8-9(6)11-10(12)7(2)13-8/h3-5,7H,1-2H3,(H,11,12)
InChIKeyWZTYFAMQYTYDAB-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.43
Rot. Bonds

About 2,5-dimethyl-4H-1,4-benzothiazin-3-one

2,5-dimethyl-4H-1,4-benzothiazin-3-one (PubChem CID 84619183) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2,5-dimethyl-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4H-1,4-benzothiazin-3-one
PubChem CID84619183
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2,5-dimethyl-4H-1,4-benzothiazin-3-one
SMILESCc1cccc2c1NC(=O)C(C)S2
InChIInChI=1S/C10H11NOS/c1-6-4-3-5-8-9(6)11-10(12)7(2)13-8/h3-5,7H,1-2H3,(H,11,12)
InChIKeyWZTYFAMQYTYDAB-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4H-1,4-benzothiazin-3-one;propane
CID 143681564
(2R,3R)-3-hydroxy-2-(4-methoxyphenyl)-6-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 10567351
2,6,7-trimethyl-4H-1,4-benzothiazin-3-one
CID 84620961
(3S)-3,8-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 131142499
(2S)-N-(2,3-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41013265
7-methyl-3-[(2-methylcyclopropyl)amino]-1,3-dihydroindol-2-one
CID 115001699
2-methyl-N-[(5S)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 135714581
3-(1-adamantyl)-7-methyl-1,3-dihydroindol-2-one
CID 106986659
2-(aminomethyl)-5-tert-butyl-4H-1,4-benzothiazin-3-one
CID 84633866
3-methyl-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride
CID 126477073
2-(aminomethyl)-5-fluoro-4H-1,4-benzothiazin-3-one
CID 84621659
[2-(2,6-dimethylanilino)-2-oxoethyl] (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 51442882

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2,5-dimethyl-4H-1,4-benzothiazin-3-one (CID 84619183) is 2,5-dimethyl-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2,5-dimethyl-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2,5-dimethyl-4H-1,4-benzothiazin-3-one is Cc1cccc2c1NC(=O)C(C)S2.
What is the InChIKey of 2,5-dimethyl-4H-1,4-benzothiazin-3-one?
The InChIKey is WZTYFAMQYTYDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-6-4-3-5-8-9(6)11-10(12)7(2)13-8/h3-5,7H,1-2H3,(H,11,12).
What are the key properties of 2,5-dimethyl-4H-1,4-benzothiazin-3-one?
2,5-dimethyl-4H-1,4-benzothiazin-3-one has a molecular weight of 193.27 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 84619183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).