(4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane

C10H17NS — CID 143162572

IUPAC(4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane
SMILESC/C=c1/c(C)ns/c1=C/C.CC
InChIInChI=1S/C8H11NS.C2H6/c1-4-7-6(3)9-10-8(7)5-2;1-2/h4-5H,1-3H3;1-2H3/b7-4-,8-5+;
InChIKeyZLOPOQNPXLEUQZ-QMKOBIDDSA-N
MW183.32 g/mol
LogP2.08
Rot. Bonds

About (4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane

(4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane (PubChem CID 143162572) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane.

Molecular Properties

Compound Name(4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane
PubChem CID143162572
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane
SMILESC/C=c1/c(C)ns/c1=C/C.CC
InChIInChI=1S/C8H11NS.C2H6/c1-4-7-6(3)9-10-8(7)5-2;1-2/h4-5H,1-3H3;1-2H3/b7-4-,8-5+;
InChIKeyZLOPOQNPXLEUQZ-QMKOBIDDSA-N
XLogP2.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane?
The IUPAC name of (4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane (CID 143162572) is (4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane.
What is the SMILES notation for (4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane?
The canonical SMILES for (4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane is C/C=c1/c(C)ns/c1=C/C.CC.
What is the InChIKey of (4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane?
The InChIKey is ZLOPOQNPXLEUQZ-QMKOBIDDSA-N. The full InChI is InChI=1S/C8H11NS.C2H6/c1-4-7-6(3)9-10-8(7)5-2;1-2/h4-5H,1-3H3;1-2H3/b7-4-,8-5+;.
What are the key properties of (4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane?
(4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane has a molecular weight of 183.32 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4,5-di(ethylidene)-3-methyl-1,2-thiazole;ethane is sourced from PubChem (CID 143162572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).