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

C15H19NS — CID 146666354

IUPAC(2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine
SMILESC=CC1=C(/C=C\C)SC(=C/C=C\C)/C(=C\C)N1
InChIInChI=1S/C15H19NS/c1-5-9-11-15-13(8-4)16-12(7-3)14(17-15)10-6-2/h5-11,16H,3H2,1-2,4H3/b9-5-,10-6-,13-8+,15-11+
InChIKeyLFWGMAMYANTUBD-ZRLCPTBJSA-N
MW245.39 g/mol
LogP4.66
Rot. Bonds3

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

(2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine (PubChem CID 146666354) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is (2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine.

Molecular Properties

Compound Name(2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine
PubChem CID146666354
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name(2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine
SMILESC=CC1=C(/C=C\C)SC(=C/C=C\C)/C(=C\C)N1
InChIInChI=1S/C15H19NS/c1-5-9-11-15-13(8-4)16-12(7-3)14(17-15)10-6-2/h5-11,16H,3H2,1-2,4H3/b9-5-,10-6-,13-8+,15-11+
InChIKeyLFWGMAMYANTUBD-ZRLCPTBJSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The IUPAC name of (2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine (CID 146666354) is (2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine.
What is the SMILES notation for (2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The canonical SMILES for (2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine is C=CC1=C(/C=C\C)SC(=C/C=C\C)/C(=C\C)N1.
What is the InChIKey of (2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The InChIKey is LFWGMAMYANTUBD-ZRLCPTBJSA-N. The full InChI is InChI=1S/C15H19NS/c1-5-9-11-15-13(8-4)16-12(7-3)14(17-15)10-6-2/h5-11,16H,3H2,1-2,4H3/b9-5-,10-6-,13-8+,15-11+.
What are the key properties of (2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine?
(2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine has a molecular weight of 245.39 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-ethylidene-6-[(Z)-prop-1-enyl]-4H-1,4-thiazine is sourced from PubChem (CID 146666354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).