5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine

C11H15NS — CID 89341111

IUPAC5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine
SMILESC/C=C\C=C(/C)C1=CSC(C)=CN1
InChIInChI=1S/C11H15NS/c1-4-5-6-9(2)11-8-13-10(3)7-12-11/h4-8,12H,1-3H3/b5-4-,9-6+
InChIKeyPKTKUCWZSONXJH-KMOPYBJPSA-N
MW193.31 g/mol
LogP3.55
Rot. Bonds2

About 5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine

5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine (PubChem CID 89341111) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine.

Molecular Properties

Compound Name5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine
PubChem CID89341111
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine
SMILESC/C=C\C=C(/C)C1=CSC(C)=CN1
InChIInChI=1S/C11H15NS/c1-4-5-6-9(2)11-8-13-10(3)7-12-11/h4-8,12H,1-3H3/b5-4-,9-6+
InChIKeyPKTKUCWZSONXJH-KMOPYBJPSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine?
The IUPAC name of 5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine (CID 89341111) is 5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine.
What is the SMILES notation for 5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine?
The canonical SMILES for 5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine is C/C=C\C=C(/C)C1=CSC(C)=CN1.
What is the InChIKey of 5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine?
The InChIKey is PKTKUCWZSONXJH-KMOPYBJPSA-N. The full InChI is InChI=1S/C11H15NS/c1-4-5-6-9(2)11-8-13-10(3)7-12-11/h4-8,12H,1-3H3/b5-4-,9-6+.
What are the key properties of 5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine?
5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine has a molecular weight of 193.31 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-methyl-4H-1,4-thiazine is sourced from PubChem (CID 89341111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).