N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide

C12H15N3O2S — CID 116847999

IUPACN',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
SMILESCC1Sc2ccc(C(=O)NN(C)C)cc2NC1=O
InChIInChI=1S/C12H15N3O2S/c1-7-11(16)13-9-6-8(4-5-10(9)18-7)12(17)14-15(2)3/h4-7H,1-3H3,(H,13,16)(H,14,17)
InChIKeyUJLLLICJWUBLEV-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.33
Rot. Bonds2

About N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide

N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide (PubChem CID 116847999) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide.

Molecular Properties

Compound NameN',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
PubChem CID116847999
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide
SMILESCC1Sc2ccc(C(=O)NN(C)C)cc2NC1=O
InChIInChI=1S/C12H15N3O2S/c1-7-11(16)13-9-6-8(4-5-10(9)18-7)12(17)14-15(2)3/h4-7H,1-3H3,(H,13,16)(H,14,17)
InChIKeyUJLLLICJWUBLEV-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N,2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42886140
(2S)-N-methoxy-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27745078
2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 42889102
N-(1-adamantyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51147333
N-ethyl-N,2-dimethyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 134023523
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
N-(2-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51148430
(2S)-2-methyl-N-(3-methylphenyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 7779662
(2R)-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 27231270
(2R)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 94031945
N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 86909674
(2S)-N-(2,3-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 41013265

Frequently Asked Questions

What is the IUPAC name of N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide?
The IUPAC name of N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide (CID 116847999) is N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide.
What is the SMILES notation for N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide?
The canonical SMILES for N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide is CC1Sc2ccc(C(=O)NN(C)C)cc2NC1=O.
What is the InChIKey of N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide?
The InChIKey is UJLLLICJWUBLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7-11(16)13-9-6-8(4-5-10(9)18-7)12(17)14-15(2)3/h4-7H,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide?
N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide has a molecular weight of 265.34 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',2-trimethyl-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide is sourced from PubChem (CID 116847999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).