ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole

C13H23NS — CID 142302136

IUPACethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole
SMILESC=C/C=c1/nc(C)s/c1=C/C.CC.CC
InChIInChI=1S/C9H11NS.2C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;2*1-2/h4-6H,1H2,2-3H3;2*1-2H3/b8-6+,9-5+;;
InChIKeyCHLFQYHOALMDKQ-VLGINLMBSA-N
MW225.40 g/mol
LogP3.27
Rot. Bonds1

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

ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole (PubChem CID 142302136) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole.

Molecular Properties

Compound Nameethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole
PubChem CID142302136
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Nameethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole
SMILESC=C/C=c1/nc(C)s/c1=C/C.CC.CC
InChIInChI=1S/C9H11NS.2C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;2*1-2/h4-6H,1H2,2-3H3;2*1-2H3/b8-6+,9-5+;;
InChIKeyCHLFQYHOALMDKQ-VLGINLMBSA-N
XLogP3.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole?
The IUPAC name of ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole (CID 142302136) is ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole.
What is the SMILES notation for ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole?
The canonical SMILES for ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole is C=C/C=c1/nc(C)s/c1=C/C.CC.CC.
What is the InChIKey of ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole?
The InChIKey is CHLFQYHOALMDKQ-VLGINLMBSA-N. The full InChI is InChI=1S/C9H11NS.2C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;2*1-2/h4-6H,1H2,2-3H3;2*1-2H3/b8-6+,9-5+;;.
What are the key properties of ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole?
ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole has a molecular weight of 225.40 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole is sourced from PubChem (CID 142302136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).