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

C14H17NS — CID 143411150

IUPAC(5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine
SMILESC=C/C=C1/SC(C=C)=C(/C=C\C)N/C1=C/C
InChIInChI=1S/C14H17NS/c1-5-9-12-13(8-4)16-14(10-6-2)11(7-3)15-12/h5-10,15H,2,4H2,1,3H3/b9-5-,11-7+,14-10+
InChIKeyVTADHBRWKIMUHU-DZNJMICCSA-N
MW231.36 g/mol
LogP4.27
Rot. Bonds3

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

(5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine (PubChem CID 143411150) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is (5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine.

Molecular Properties

Compound Name(5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine
PubChem CID143411150
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name(5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine
SMILESC=C/C=C1/SC(C=C)=C(/C=C\C)N/C1=C/C
InChIInChI=1S/C14H17NS/c1-5-9-12-13(8-4)16-14(10-6-2)11(7-3)15-12/h5-10,15H,2,4H2,1,3H3/b9-5-,11-7+,14-10+
InChIKeyVTADHBRWKIMUHU-DZNJMICCSA-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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Related Compounds

(5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine
CID 146245988
(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine
CID 143411154
(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine
CID 145488164
6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one
CID 134485479
ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-1,4-dihydroquinoxaline;molecular hydrogen
CID 176523076
2,3-bis(ethenyl)-4H-1,4-benzothiazine;ethane
CID 142894619
4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazol-2-one
CID 130247435
(4E,5E)-4-[(Z)-but-2-enylidene]-2,2-difluoro-5-prop-2-enylidene-1,3-dioxolane
CID 143149854
5-ethenyl-2-methylidene-4-[(Z)-prop-1-enyl]-1,3-oxathiole
CID 142074058
(2E,3Z,4Z,5E)-2,5-di(ethylidene)-3,4-bis(prop-2-enylidene)pyrrolidine
CID 144844231
(4Z,5E)-2-ethenyl-5-ethylidene-1-methyl-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrole
CID 174307966
3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole
CID 130271448

Frequently Asked Questions

What is the IUPAC name of (5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine?
The IUPAC name of (5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine (CID 143411150) is (5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine.
What is the SMILES notation for (5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine?
The canonical SMILES for (5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine is C=C/C=C1/SC(C=C)=C(/C=C\C)N/C1=C/C.
What is the InChIKey of (5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine?
The InChIKey is VTADHBRWKIMUHU-DZNJMICCSA-N. The full InChI is InChI=1S/C14H17NS/c1-5-9-12-13(8-4)16-14(10-6-2)11(7-3)15-12/h5-10,15H,2,4H2,1,3H3/b9-5-,11-7+,14-10+.
What are the key properties of (5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine?
(5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-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)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine is sourced from PubChem (CID 143411150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).