ethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole

C11H17NS — CID 143026456

IUPACethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole
SMILESC=c1scn/c1=C/C=C(C)C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-7(2)4-5-9-8(3)11-6-10-9;1-2/h4-6H,3H2,1-2H3;1-2H3/b9-5+;
InChIKeyIHSJUIVIBFSYBQ-SZKNIZGXSA-N
MW195.33 g/mol
LogP2.33
Rot. Bonds1

About ethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole

ethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole (PubChem CID 143026456) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is ethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole.

Molecular Properties

Compound Nameethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole
PubChem CID143026456
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Nameethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole
SMILESC=c1scn/c1=C/C=C(C)C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-7(2)4-5-9-8(3)11-6-10-9;1-2/h4-6H,3H2,1-2H3;1-2H3/b9-5+;
InChIKeyIHSJUIVIBFSYBQ-SZKNIZGXSA-N
XLogP2.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Di(propan-2-ylidene)-1,3-thiazole
CID 57564419
4,5-Di(ethylidene)-1,3-thiazole
CID 90767189
5-Ethylidene-4-propan-2-ylidene-1,3-thiazole
CID 91081809
4-Hepta-1,3,5-trien-3-yl-1,1-dimethyl-1,3-thiazole
CID 123183735
5-Ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 123457592
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
4-(3-Methylbut-2-enylidene)-5-methylidene-1,3-thiazole
CID 124009275
(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 124173797
(4E,5E)-4,5-di(ethylidene)-1,3-thiazole
CID 130239694
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole
CID 138519855
ethane;(5E)-5-ethylidene-4-methylidene-1,3-thiazole
CID 141841365
(4E)-4-[(Z)-2-methylbut-2-enylidene]-5-methylidene-1,3-thiazole
CID 141864711

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole?
The IUPAC name of ethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole (CID 143026456) is ethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole.
What is the SMILES notation for ethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole?
The canonical SMILES for ethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole is C=c1scn/c1=C/C=C(C)C.CC.
What is the InChIKey of ethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole?
The InChIKey is IHSJUIVIBFSYBQ-SZKNIZGXSA-N. The full InChI is InChI=1S/C9H11NS.C2H6/c1-7(2)4-5-9-8(3)11-6-10-9;1-2/h4-6H,3H2,1-2H3;1-2H3/b9-5+;.
What are the key properties of ethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole?
ethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole has a molecular weight of 195.33 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-4-(3-methylbut-2-enylidene)-5-methylidene-1,3-thiazole is sourced from PubChem (CID 143026456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).