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

C14H17NS — CID 142370650

IUPAC(5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4H-1,4-thiazine
SMILESC=CC1=C(C=C)SC(=C/C)/C(=C\C=C/C)N1
InChIInChI=1S/C14H17NS/c1-5-9-10-12-14(8-4)16-13(7-3)11(6-2)15-12/h5-10,15H,2-3H2,1,4H3/b9-5-,12-10+,14-8+
InChIKeyPPOCQXBBKUPYTM-PREOCRMYSA-N
MW231.36 g/mol
LogP4.27
Rot. Bonds3

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

(5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4H-1,4-thiazine (PubChem CID 142370650) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4H-1,4-thiazine.

Molecular Properties

Compound Name(5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4H-1,4-thiazine
PubChem CID142370650
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name(5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4H-1,4-thiazine
SMILESC=CC1=C(C=C)SC(=C/C)/C(=C\C=C/C)N1
InChIInChI=1S/C14H17NS/c1-5-9-10-12-14(8-4)16-13(7-3)11(6-2)15-12/h5-10,15H,2-3H2,1,4H3/b9-5-,12-10+,14-8+
InChIKeyPPOCQXBBKUPYTM-PREOCRMYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
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-4H-1,4-thiazine?
The IUPAC name of (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4H-1,4-thiazine (CID 142370650) is (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4H-1,4-thiazine.
What is the SMILES notation for (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4H-1,4-thiazine?
The canonical SMILES for (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4H-1,4-thiazine is C=CC1=C(C=C)SC(=C/C)/C(=C\C=C/C)N1.
What is the InChIKey of (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4H-1,4-thiazine?
The InChIKey is PPOCQXBBKUPYTM-PREOCRMYSA-N. The full InChI is InChI=1S/C14H17NS/c1-5-9-10-12-14(8-4)16-13(7-3)11(6-2)15-12/h5-10,15H,2-3H2,1,4H3/b9-5-,12-10+,14-8+.
What are the key properties of (5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4H-1,4-thiazine?
(5E,6E)-5-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-6-ethylidene-4H-1,4-thiazine has a molecular weight of 231.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 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-4H-1,4-thiazine is sourced from PubChem (CID 142370650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).