(2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate

C13H12N3O3S- — CID 135706527

IUPAC(2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate
SMILESC=C(N/N=C1\NC(=O)CC(C(=O)[O-])S1)c1ccccc1
InChIInChI=1S/C13H13N3O3S/c1-8(9-5-3-2-4-6-9)15-16-13-14-11(17)7-10(20-13)12(18)19/h2-6,10,15H,1,7H2,(H,18,19)(H,14,16,17)/p-1
InChIKeyUNTUCARTDDEPKA-UHFFFAOYSA-M
MW290.32 g/mol
LogP-0.11
Rot. Bonds4

About (2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate

(2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate (PubChem CID 135706527) has the molecular formula C13H12N3O3S- and a molecular weight of 290.32 g/mol. Its IUPAC name is (2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate.

Molecular Properties

Compound Name(2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate
PubChem CID135706527
Molecular FormulaC13H12N3O3S-
Molecular Weight290.32 g/mol
Exact Mass290.06
IUPAC Name(2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate
SMILESC=C(N/N=C1\NC(=O)CC(C(=O)[O-])S1)c1ccccc1
InChIInChI=1S/C13H13N3O3S/c1-8(9-5-3-2-4-6-9)15-16-13-14-11(17)7-10(20-13)12(18)19/h2-6,10,15H,1,7H2,(H,18,19)(H,14,16,17)/p-1
InChIKeyUNTUCARTDDEPKA-UHFFFAOYSA-M
XLogP-0.11
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-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

(2E)-2-[1-(4-fluorophenyl)ethenylhydrazinylidene]-N-methyl-4-oxo-1,3-thiazinane-6-carboxamide
CID 135625752
(2E,6S)-2-[(2-chlorobenzoyl)hydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 135745670
(6R)-4-oxo-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazinane-6-carboxylic acid
CID 137230444
(2E,6S)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxylate
CID 135740513
2-[(2Z,5R)-2-[1-(4-nitrophenyl)ethenylhydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135950420
N-(3,4-dimethylphenyl)-2-[(2-methylbenzoyl)hydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135532961
2-[(2-methoxybenzoyl)hydrazinylidene]-4-oxo-N-(4-phenoxyphenyl)-1,3-thiazinane-6-carboxamide
CID 135399264
2-(cyclopenten-1-ylhydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 135474986
(2Z,6R)-2-[(Z)-1-(4-hydroxyphenyl)ethylidenehydrazinylidene]-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
CID 136711412
(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]-N-(4-methoxyphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135643202
2-[(2-methoxybenzoyl)hydrazinylidene]-N-(3-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 135399274
(2Z)-N-(4-ethoxyphenyl)-4-oxo-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazinane-6-carboxamide
CID 136910669

Frequently Asked Questions

What is the IUPAC name of (2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate?
The IUPAC name of (2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate (CID 135706527) is (2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate.
What is the SMILES notation for (2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate?
The canonical SMILES for (2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate is C=C(N/N=C1\NC(=O)CC(C(=O)[O-])S1)c1ccccc1.
What is the InChIKey of (2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate?
The InChIKey is UNTUCARTDDEPKA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H13N3O3S/c1-8(9-5-3-2-4-6-9)15-16-13-14-11(17)7-10(20-13)12(18)19/h2-6,10,15H,1,7H2,(H,18,19)(H,14,16,17)/p-1.
What are the key properties of (2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate?
(2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate has a molecular weight of 290.32 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-oxo-2-(1-phenylethenylhydrazinylidene)-1,3-thiazinane-6-carboxylate is sourced from PubChem (CID 135706527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).