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

C13H25NS — CID 143545090

IUPACethane;(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-thiazole
SMILESC/C=c1/sc(C)n/c1=C/CC.CC.CC
InChIInChI=1S/C9H13NS.2C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3/b8-6+,9-5+;;
InChIKeyBCBWZLXWGANFAP-VLGINLMBSA-N
MW227.42 g/mol
LogP3.49
Rot. Bonds1

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

ethane;(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-thiazole (PubChem CID 143545090) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is ethane;(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-thiazole.

Molecular Properties

Compound Nameethane;(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-thiazole
PubChem CID143545090
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Nameethane;(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-thiazole
SMILESC/C=c1/sc(C)n/c1=C/CC.CC.CC
InChIInChI=1S/C9H13NS.2C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3/b8-6+,9-5+;;
InChIKeyBCBWZLXWGANFAP-VLGINLMBSA-N
XLogP3.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5E)-5-ethylidene-4-[(E)-3-fluoro-2-methylprop-2-enylidene]-2-methyl-1,3-thiazole
CID 169883021
2-Methyl-5,6-dihydro-1,3-benzothiazole
CID 20096831
2,3-Dimethyl-5,6-dihydro-1,3-benzothiazol-3-ium
CID 59289934
2,5-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 67596976
(4E)-2-methyl-4-[(Z)-pent-2-enylidene]-1,3-thiazole
CID 88944830
(2E)-2-[(4E)-2-methyl-4-propylidene-1,3-thiazol-5-ylidene]ethanethiol
CID 89029305
2,6-Dimethyl-5,6-dihydro-1,3-benzothiazole
CID 89217474
2,7,9-trimethyl-6,9-dihydro-5H-cyclonona[d][1,3]thiazole
CID 90794537
2-Methyl-5-(2-methylbut-2-enylidene)-4-methylidene-1,3-thiazole
CID 123191476
2-methyl-6H-cycloocta[d][1,3]thiazole
CID 123408513
2-Methyl-7,8-dihydrocycloocta[d][1,3]thiazole
CID 123818995
2-Propan-2-yl-4-propan-2-ylidene-5-propylidene-1,3-thiazole
CID 123865813

Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-thiazole?
The IUPAC name of ethane;(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-thiazole (CID 143545090) is ethane;(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-thiazole.
What is the SMILES notation for ethane;(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-thiazole?
The canonical SMILES for ethane;(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-thiazole is C/C=c1/sc(C)n/c1=C/CC.CC.CC.
What is the InChIKey of ethane;(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-thiazole?
The InChIKey is BCBWZLXWGANFAP-VLGINLMBSA-N. The full InChI is InChI=1S/C9H13NS.2C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;2*1-2/h5-6H,4H2,1-3H3;2*1-2H3/b8-6+,9-5+;;.
What are the key properties of ethane;(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-thiazole?
ethane;(4E,5E)-5-ethylidene-2-methyl-4-propylidene-1,3-thiazole has a molecular weight of 227.42 g/mol, XLogP of 3.49, 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-propylidene-1,3-thiazole is sourced from PubChem (CID 143545090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).