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

C14H17NS — CID 146666648

IUPAC(2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine
SMILESC=CC1=C(/C=C\C)S/C(=C/C=C\C)C(=C)N1
InChIInChI=1S/C14H17NS/c1-5-8-10-13-11(4)15-12(7-3)14(16-13)9-6-2/h5-10,15H,3-4H2,1-2H3/b8-5-,9-6-,13-10+
InChIKeyMUESACIQODXMBI-JGWKWCOBSA-N
MW231.36 g/mol
LogP4.27
Rot. Bonds3

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

(2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine (PubChem CID 146666648) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine
PubChem CID146666648
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine
SMILESC=CC1=C(/C=C\C)S/C(=C/C=C\C)C(=C)N1
InChIInChI=1S/C14H17NS/c1-5-8-10-13-11(4)15-12(7-3)14(16-13)9-6-2/h5-10,15H,3-4H2,1-2H3/b8-5-,9-6-,13-10+
InChIKeyMUESACIQODXMBI-JGWKWCOBSA-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 (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine (CID 146666648) is (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine is C=CC1=C(/C=C\C)S/C(=C/C=C\C)C(=C)N1.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The InChIKey is MUESACIQODXMBI-JGWKWCOBSA-N. The full InChI is InChI=1S/C14H17NS/c1-5-8-10-13-11(4)15-12(7-3)14(16-13)9-6-2/h5-10,15H,3-4H2,1-2H3/b8-5-,9-6-,13-10+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine?
(2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-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 (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine is sourced from PubChem (CID 146666648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).