6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one

C10H14N4OS — CID 115260501

IUPAC6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one
SMILESCC1Sc2ccc(N)cc2N(CNN)C1=O
InChIInChI=1S/C10H14N4OS/c1-6-10(15)14(5-13-12)8-4-7(11)2-3-9(8)16-6/h2-4,6,13H,5,11-12H2,1H3
InChIKeyDIQMGOJZMGSYRM-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.52
Rot. Bonds2

About 6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one

6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one (PubChem CID 115260501) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one
PubChem CID115260501
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one
SMILESCC1Sc2ccc(N)cc2N(CNN)C1=O
InChIInChI=1S/C10H14N4OS/c1-6-10(15)14(5-13-12)8-4-7(11)2-3-9(8)16-6/h2-4,6,13H,5,11-12H2,1H3
InChIKeyDIQMGOJZMGSYRM-UHFFFAOYSA-N
XLogP0.52
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-(3-aminopropyl)-2-methyl-1,4-benzothiazin-3-one
CID 115197127
6-amino-4-[(2-fluorophenyl)methyl]-2-methyl-1,4-benzothiazin-3-one
CID 84615627
7-amino-2-methyl-4-(2-methylprop-2-enyl)-1,4-benzothiazin-3-one
CID 84615543
6-(2-aminoethyl)-4-ethyl-2-methyl-1,4-benzothiazin-3-one
CID 115259519
6-amino-2-methyl-4-(oxan-4-yl)-1,4-benzothiazin-3-one
CID 84615633
3-(7-amino-2-methyl-3-oxo-1,4-benzothiazin-4-yl)propanoic acid
CID 84615540
4-(methoxymethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one
CID 115258410
2-methyl-6-(methylamino)-4-(2-sulfanylethyl)-1,4-benzothiazin-3-one
CID 115223847
6-amino-2-ethyl-4-(2-hydroxyethyl)-1,4-benzothiazin-3-one
CID 84615651
6-(aminomethyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzothiazin-3-one
CID 115216197
4-(2-hydroxyethyl)-2-methyl-6-(methylamino)-1,4-benzothiazin-3-one
CID 115216152
7-amino-4-cyclopentyl-2-methyl-1,4-benzothiazin-3-one
CID 84615562

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one?
The IUPAC name of 6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one (CID 115260501) is 6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one?
The canonical SMILES for 6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one is CC1Sc2ccc(N)cc2N(CNN)C1=O.
What is the InChIKey of 6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one?
The InChIKey is DIQMGOJZMGSYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6-10(15)14(5-13-12)8-4-7(11)2-3-9(8)16-6/h2-4,6,13H,5,11-12H2,1H3.
What are the key properties of 6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one?
6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one has a molecular weight of 238.32 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(hydrazinylmethyl)-2-methyl-1,4-benzothiazin-3-one is sourced from PubChem (CID 115260501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).