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

C17H23NS — CID 145488164

IUPAC(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine
SMILESC=C/C=C1C(=C/C)\SC(C=C)=C(/C=C\CCC)N\1C
InChIInChI=1S/C17H23NS/c1-6-10-11-13-15-17(9-4)19-16(8-3)14(12-7-2)18(15)5/h7-9,11-13H,2,4,6,10H2,1,3,5H3/b13-11-,14-12+,16-8+
InChIKeyUISNBXFVQLZXIQ-XWDXJQTMSA-N
MW273.45 g/mol
LogP5.39
Rot. Bonds5

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

(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine (PubChem CID 145488164) has the molecular formula C17H23NS and a molecular weight of 273.45 g/mol. Its IUPAC name is (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine.

Molecular Properties

Compound Name(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine
PubChem CID145488164
Molecular FormulaC17H23NS
Molecular Weight273.45 g/mol
Exact Mass273.16
IUPAC Name(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine
SMILESC=C/C=C1C(=C/C)\SC(C=C)=C(/C=C\CCC)N\1C
InChIInChI=1S/C17H23NS/c1-6-10-11-13-15-17(9-4)19-16(8-3)14(12-7-2)18(15)5/h7-9,11-13H,2,4,6,10H2,1,3,5H3/b13-11-,14-12+,16-8+
InChIKeyUISNBXFVQLZXIQ-XWDXJQTMSA-N
XLogP5.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.45
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E,6E)-2,3-bis(ethenyl)-6-ethylidene-4-methyl-5-prop-2-enylidene-1,4-thiazine
CID 143411154
(5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine
CID 143411150
ethane;(2Z,3E,7Z)-1-ethenyl-3-ethylidene-6-methyl-5-[(Z)-pent-1-enyl]-2,7-di(propylidene)pyrrolizine
CID 145243190
(3Z)-hepta-1,3-diene
CID 6427773
1-ethenyl-4-(4-pent-1-enylphenyl)benzene
CID 139623401
(5Z)-3-methylnona-1,5-diene
CID 145064168
(5E,6E)-2-ethenyl-5-ethylidene-1,4-diphenyl-3-[(Z)-prop-1-enyl]-6-prop-2-enylidenepyrazine
CID 142288113
deca-1,6-dien-3-ol
CID 56622854
(5E)-nona-1,5-diene
CID 6429608
4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan
CID 143679861
(4Z,8E)-dodeca-4,8-diene
CID 12576906
ethane;(E)-oct-4-ene
CID 142055407

Frequently Asked Questions

What is the IUPAC name of (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine?
The IUPAC name of (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine (CID 145488164) is (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine.
What is the SMILES notation for (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine?
The canonical SMILES for (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine is C=C/C=C1C(=C/C)\SC(C=C)=C(/C=C\CCC)N\1C.
What is the InChIKey of (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine?
The InChIKey is UISNBXFVQLZXIQ-XWDXJQTMSA-N. The full InChI is InChI=1S/C17H23NS/c1-6-10-11-13-15-17(9-4)19-16(8-3)14(12-7-2)18(15)5/h7-9,11-13H,2,4,6,10H2,1,3,5H3/b13-11-,14-12+,16-8+.
What are the key properties of (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine?
(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine has a molecular weight of 273.45 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-pent-1-enyl]-5-prop-2-enylidene-1,4-thiazine is sourced from PubChem (CID 145488164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).