4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid

C10H9NO3S — CID 1474969

IUPAC4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid
SMILESCN1C(=O)CSc2ccc(C(=O)O)cc21
InChIInChI=1S/C10H9NO3S/c1-11-7-4-6(10(13)14)2-3-8(7)15-5-9(11)12/h2-4H,5H2,1H3,(H,13,14)
InChIKeyJHMLWQWKVSDFLZ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.45
Rot. Bonds1

About 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid

4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid (PubChem CID 1474969) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid
PubChem CID1474969
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid
SMILESCN1C(=O)CSc2ccc(C(=O)O)cc21
InChIInChI=1S/C10H9NO3S/c1-11-7-4-6(10(13)14)2-3-8(7)15-5-9(11)12/h2-4H,5H2,1H3,(H,13,14)
InChIKeyJHMLWQWKVSDFLZ-UHFFFAOYSA-N
XLogP1.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
CID 699501
2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
CID 3507590
3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
CID 760993
10-Ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
CID 4083986
10-(2-Methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
CID 4590670
4-((4-Methylphenyl)thio)-3-((1-oxobutyl)amino)benzoic acid
CID 5085666
4-[(4-Methylphenyl)thio]-3-(propionylamino)benzoic acid
CID 5085669
10-(4-Fluorobenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
CID 4373362
10-(2-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperazin-1-yl)ethyl)-10H-phenothiazine-2-carboxylic acid
CID 45269070
10-(4-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperazin-1-yl)butyl)-10H-phenothiazine-2-carboxylic acid
CID 45270753
10-Methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
CID 3459174
2-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}benzoic acid
CID 2385059

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid?
The IUPAC name of 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid (CID 1474969) is 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid.
What is the SMILES notation for 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid?
The canonical SMILES for 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid is CN1C(=O)CSc2ccc(C(=O)O)cc21.
What is the InChIKey of 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid?
The InChIKey is JHMLWQWKVSDFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-11-7-4-6(10(13)14)2-3-8(7)15-5-9(11)12/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid?
4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylic acid is sourced from PubChem (CID 1474969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).