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

C17H25NS — CID 143764442

IUPAC(5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane
SMILESC=CC1=C(C=C)N(C)C(=C/C=C\C)/C(=C\C)S1.CC
InChIInChI=1S/C15H19NS.C2H6/c1-6-10-11-13-15(9-4)17-14(8-3)12(7-2)16(13)5;1-2/h6-11H,2-3H2,1,4-5H3;1-2H3/b10-6-,13-11+,15-9+;
InChIKeyAYYDTQKRXOPTKU-PTKCAUMYSA-N
MW275.46 g/mol
LogP5.64
Rot. Bonds3

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

(5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane (PubChem CID 143764442) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane.

Molecular Properties

Compound Name(5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane
PubChem CID143764442
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name(5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane
SMILESC=CC1=C(C=C)N(C)C(=C/C=C\C)/C(=C\C)S1.CC
InChIInChI=1S/C15H19NS.C2H6/c1-6-10-11-13-15(9-4)17-14(8-3)12(7-2)16(13)5;1-2/h6-11H,2-3H2,1,4-5H3;1-2H3/b10-6-,13-11+,15-9+;
InChIKeyAYYDTQKRXOPTKU-PTKCAUMYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.46
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane?
The IUPAC name of (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane (CID 143764442) is (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane.
What is the SMILES notation for (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane?
The canonical SMILES for (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane is C=CC1=C(C=C)N(C)C(=C/C=C\C)/C(=C\C)S1.CC.
What is the InChIKey of (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane?
The InChIKey is AYYDTQKRXOPTKU-PTKCAUMYSA-N. The full InChI is InChI=1S/C15H19NS.C2H6/c1-6-10-11-13-15(9-4)17-14(8-3)12(7-2)16(13)5;1-2/h6-11H,2-3H2,1,4-5H3;1-2H3/b10-6-,13-11+,15-9+;.
What are the key properties of (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane?
(5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane has a molecular weight of 275.46 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4-methyl-1,4-thiazine;ethane is sourced from PubChem (CID 143764442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).