(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine

C17H23NS — CID 143764438

IUPAC(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine
SMILESC/C=C\C=C1C(=C\C)/SC(/C=C\C)=C(/C=C\C)N/1C
InChIInChI=1S/C17H23NS/c1-6-10-13-15-16(9-4)19-17(12-8-3)14(11-7-2)18(15)5/h6-13H,1-5H3/b10-6-,11-7-,12-8-,15-13+,16-9+
InChIKeyKHKBUPKMYLNXRY-KBSDJBTBSA-N
MW273.44 g/mol
LogP5.39
Rot. Bonds3

About (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine

(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine (PubChem CID 143764438) has the molecular formula C17H23NS and a molecular weight of 273.44 g/mol. Its IUPAC name is (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine.

Molecular Properties

Compound Name(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine
PubChem CID143764438
Molecular FormulaC17H23NS
Molecular Weight273.44 g/mol
Exact Mass273.16
IUPAC Name(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine
SMILESC/C=C\C=C1C(=C\C)/SC(/C=C\C)=C(/C=C\C)N/1C
InChIInChI=1S/C17H23NS/c1-6-10-13-15-16(9-4)19-17(12-8-3)14(11-7-2)18(15)5/h6-13H,1-5H3/b10-6-,11-7-,12-8-,15-13+,16-9+
InChIKeyKHKBUPKMYLNXRY-KBSDJBTBSA-N
XLogP5.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-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 (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine?
The IUPAC name of (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine (CID 143764438) is (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine.
What is the SMILES notation for (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine?
The canonical SMILES for (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine is C/C=C\C=C1C(=C\C)/SC(/C=C\C)=C(/C=C\C)N/1C.
What is the InChIKey of (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine?
The InChIKey is KHKBUPKMYLNXRY-KBSDJBTBSA-N. The full InChI is InChI=1S/C17H23NS/c1-6-10-13-15-16(9-4)19-17(12-8-3)14(11-7-2)18(15)5/h6-13H,1-5H3/b10-6-,11-7-,12-8-,15-13+,16-9+.
What are the key properties of (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine?
(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine has a molecular weight of 273.44 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidene-4-methyl-5,6-bis[(Z)-prop-1-enyl]-1,4-thiazine is sourced from PubChem (CID 143764438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).