(4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane

C12H17NS — CID 143197379

IUPAC(4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane
SMILESC=C/C=c1/ncs/c1=C/C=C\C.CC
InChIInChI=1S/C10H11NS.C2H6/c1-3-5-7-10-9(6-4-2)11-8-12-10;1-2/h3-8H,2H2,1H3;1-2H3/b5-3-,9-6+,10-7+;
InChIKeyRMNZFRRIOVUUBP-YPYBOTHRSA-N
MW207.34 g/mol
LogP2.49
Rot. Bonds2

About (4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane

(4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane (PubChem CID 143197379) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is (4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane.

Molecular Properties

Compound Name(4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane
PubChem CID143197379
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name(4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane
SMILESC=C/C=c1/ncs/c1=C/C=C\C.CC
InChIInChI=1S/C10H11NS.C2H6/c1-3-5-7-10-9(6-4-2)11-8-12-10;1-2/h3-8H,2H2,1H3;1-2H3/b5-3-,9-6+,10-7+;
InChIKeyRMNZFRRIOVUUBP-YPYBOTHRSA-N
XLogP2.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole
CID 142260644
(4E,5E)-4-[(Z)-but-2-enylidene]-2,2-difluoro-5-prop-2-enylidene-1,3-dioxolane
CID 143149854
2-[(5Z,6E)-5-[(Z)-but-2-enylidene]-6-prop-2-enylidene-3-pyridinyl]acetic acid
CID 164563371
(4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine
CID 168932435
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole
CID 89435831
4-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,3-thiazole
CID 87430136
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane
CID 170620892
(4Z,5E)-4-[(Z)-but-2-enylidene]-2-ethenyl-5-ethylidenepyridine
CID 89225903
(E)-[(5E)-5-propylidene-1,3-thiazol-4-ylidene]methanamine
CID 154971032
(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole
CID 176972183
(3E)-penta-1,3-diene
CID 71777643
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine
CID 142972372

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane?
The IUPAC name of (4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane (CID 143197379) is (4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane.
What is the SMILES notation for (4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane?
The canonical SMILES for (4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane is C=C/C=c1/ncs/c1=C/C=C\C.CC.
What is the InChIKey of (4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane?
The InChIKey is RMNZFRRIOVUUBP-YPYBOTHRSA-N. The full InChI is InChI=1S/C10H11NS.C2H6/c1-3-5-7-10-9(6-4-2)11-8-12-10;1-2/h3-8H,2H2,1H3;1-2H3/b5-3-,9-6+,10-7+;.
What are the key properties of (4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane?
(4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane has a molecular weight of 207.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-5-[(Z)-but-2-enylidene]-4-prop-2-enylidene-1,3-thiazole;ethane is sourced from PubChem (CID 143197379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).