2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

C11H13N3O2S — CID 82499331

IUPAC2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCC1Sc2ccc(NC(=O)CN)cc2NC1=O
InChIInChI=1S/C11H13N3O2S/c1-6-11(16)14-8-4-7(13-10(15)5-12)2-3-9(8)17-6/h2-4,6H,5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyXAJOVLKAIMRORS-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.02
Rot. Bonds2

About 2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide

2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (PubChem CID 82499331) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
PubChem CID82499331
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
SMILESCC1Sc2ccc(NC(=O)CN)cc2NC1=O
InChIInChI=1S/C11H13N3O2S/c1-6-11(16)14-8-4-7(13-10(15)5-12)2-3-9(8)17-6/h2-4,6H,5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyXAJOVLKAIMRORS-UHFFFAOYSA-N
XLogP1.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamoyl bromide
CID 115193305
benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate
CID 110778827
6-[(3-amino-2-methylpropyl)amino]-2-methyl-4H-1,4-benzothiazin-3-one
CID 115198294
2-chloro-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 110778816
N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 110793157
6-(azetidin-3-ylmethylamino)-2-methyl-4H-1,4-benzothiazin-3-one
CID 115207285
N-(3,4-dimethylphenyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 22551778
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 40793108
N-(4-fluorophenyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 22551819
ethyl 4-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]benzoate
CID 7780126
N-(4-ethylphenyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 22551747

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The IUPAC name of 2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide (CID 82499331) is 2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The canonical SMILES for 2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is CC1Sc2ccc(NC(=O)CN)cc2NC1=O.
What is the InChIKey of 2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
The InChIKey is XAJOVLKAIMRORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-6-11(16)14-8-4-7(13-10(15)5-12)2-3-9(8)17-6/h2-4,6H,5,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide?
2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide has a molecular weight of 251.31 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide is sourced from PubChem (CID 82499331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).