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

C11H17NS — CID 142274469

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
InChIInChI=1S/C9H11NS.C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;1-2/h4-6H,1H2,2-3H3;1-2H3/b8-6+,9-5+;
InChIKeyKSYUCHLIZANBLT-DGQWEVPXSA-N
MW195.33 g/mol
LogP2.24
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 142274469) has the molecular formula C11H17NS and a molecular weight of 195.33 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 CID142274469
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
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
InChIInChI=1S/C9H11NS.C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;1-2/h4-6H,1H2,2-3H3;1-2H3/b8-6+,9-5+;
InChIKeyKSYUCHLIZANBLT-DGQWEVPXSA-N
XLogP2.24
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 ≤ 52.24
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 142274469) 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.
What is the InChIKey of ethane;(4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazole?
The InChIKey is KSYUCHLIZANBLT-DGQWEVPXSA-N. The full InChI is InChI=1S/C9H11NS.C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;1-2/h4-6H,1H2,2-3H3;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 195.33 g/mol, XLogP of 2.24, 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 142274469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).