ethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole

C13H21NS — CID 171660356

IUPACethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole
SMILESC=c1scn/c1=C(/C=C\C)C(C)C.CC
InChIInChI=1S/C11H15NS.C2H6/c1-5-6-10(8(2)3)11-9(4)13-7-12-11;1-2/h5-8H,4H2,1-3H3;1-2H3/b6-5-,11-10-;
InChIKeyRFLPEJSGTACBPO-FYFNGVQZSA-N
MW223.38 g/mol
LogP2.96
Rot. Bonds2

About ethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole

ethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole (PubChem CID 171660356) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is ethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole.

Molecular Properties

Compound Nameethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole
PubChem CID171660356
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Nameethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole
SMILESC=c1scn/c1=C(/C=C\C)C(C)C.CC
InChIInChI=1S/C11H15NS.C2H6/c1-5-6-10(8(2)3)11-9(4)13-7-12-11;1-2/h5-8H,4H2,1-3H3;1-2H3/b6-5-,11-10-;
InChIKeyRFLPEJSGTACBPO-FYFNGVQZSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole
CID 178009408
(4E,5E)-5-(3,5-dimethylhexylidene)-4-ethylidene-1,3-thiazole
CID 89435831
6-Methyl-5,6-dihydro-1,3-benzothiazole
CID 89474199
4-(2-Methylhex-4-en-3-ylidene)-5-propan-2-ylidene-1,3-thiazole
CID 91027427
methyl N-(3-methylocta-1,3,5-trien-2-yl)methanimidothioate
CID 123168665
2-ethylpent-3-enyl N-(2-ethenylbut-2-enyl)methanimidothioate
CID 123514781
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
(4E)-4-[(Z)-2-methylbut-2-enylidene]-5-methylidene-1,3-thiazole
CID 141864711
(4E)-4-[(2E,4Z)-2-tert-butylhexa-2,4-dienylidene]-5-methylidene-1,3-thiazole
CID 142847482
5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole
CID 143657117
ethane;N-[(3E)-5-methyl-4-methylsulfanylhexa-1,3,5-trien-3-yl]methanimine
CID 143768531
Ethane;7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
CID 143877837

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole?
The IUPAC name of ethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole (CID 171660356) is ethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole.
What is the SMILES notation for ethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole?
The canonical SMILES for ethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole is C=c1scn/c1=C(/C=C\C)C(C)C.CC.
What is the InChIKey of ethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole?
The InChIKey is RFLPEJSGTACBPO-FYFNGVQZSA-N. The full InChI is InChI=1S/C11H15NS.C2H6/c1-5-6-10(8(2)3)11-9(4)13-7-12-11;1-2/h5-8H,4H2,1-3H3;1-2H3/b6-5-,11-10-;.
What are the key properties of ethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole?
ethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole has a molecular weight of 223.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-4-[(Z)-2-methylhex-4-en-3-ylidene]-5-methylidene-1,3-thiazole is sourced from PubChem (CID 171660356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).