methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate

C13H11N3O3S — CID 6303988

IUPACmethyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate
SMILESCOC(=O)c1cc(=O)nc(N/N=C\c2ccccc2)s1
InChIInChI=1S/C13H11N3O3S/c1-19-12(18)10-7-11(17)15-13(20-10)16-14-8-9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17)/b14-8-
InChIKeyQMOWQSAZKMQRFS-ZSOIEALJSA-N
MW289.32 g/mol
LogP1.74
Rot. Bonds4

About methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate

methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate (PubChem CID 6303988) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate
PubChem CID6303988
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Namemethyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate
SMILESCOC(=O)c1cc(=O)nc(N/N=C\c2ccccc2)s1
InChIInChI=1S/C13H11N3O3S/c1-19-12(18)10-7-11(17)15-13(20-10)16-14-8-9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17)/b14-8-
InChIKeyQMOWQSAZKMQRFS-ZSOIEALJSA-N
XLogP1.74
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(4-methylanilino)-4-oxo-1,3-thiazine-6-carboxylate
CID 4097800
methyl 2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110534591
methyl 4-[(E)-[(4,5-dimethyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 5341566
methyl 2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 136926687
4-[(Z)-[(4-ethyl-5-methoxycarbonyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 110536941
2-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3,1-benzothiazin-4-one
CID 4143031
methyl 4-ethyl-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
CID 110539054
methyl 2-[(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110533491
methyl 4-ethyl-2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 110538274
2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8878410
methyl 2-[(2Z)-2-[(3,4-diethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110531033
methyl 2-[(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 136781642

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate?
The IUPAC name of methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate (CID 6303988) is methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate.
What is the SMILES notation for methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate?
The canonical SMILES for methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate is COC(=O)c1cc(=O)nc(N/N=C\c2ccccc2)s1.
What is the InChIKey of methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate?
The InChIKey is QMOWQSAZKMQRFS-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-19-12(18)10-7-11(17)15-13(20-10)16-14-8-9-5-3-2-4-6-9/h2-8H,1H3,(H,15,16,17)/b14-8-.
What are the key properties of methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate?
methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate has a molecular weight of 289.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2Z)-2-benzylidenehydrazinyl]-4-oxo-1,3-thiazine-6-carboxylate is sourced from PubChem (CID 6303988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).