ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine

C12H23NS — CID 143256493

IUPACethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine
SMILESC=C(C)/C=C1/NCSC1=C.CC.CC
InChIInChI=1S/C8H11NS.2C2H6/c1-6(2)4-8-7(3)10-5-9-8;2*1-2/h4,9H,1,3,5H2,2H3;2*1-2H3/b8-4+;;
InChIKeyXKJCJLAWQYFFFT-ZDTICIBISA-N
MW213.39 g/mol
LogP4.31
Rot. Bonds1

About ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine

ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine (PubChem CID 143256493) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine.

Molecular Properties

Compound Nameethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine
PubChem CID143256493
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Nameethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine
SMILESC=C(C)/C=C1/NCSC1=C.CC.CC
InChIInChI=1S/C8H11NS.2C2H6/c1-6(2)4-8-7(3)10-5-9-8;2*1-2/h4,9H,1,3,5H2,2H3;2*1-2H3/b8-4+;;
InChIKeyXKJCJLAWQYFFFT-ZDTICIBISA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]sulfanylbuta-1,3-dien-2-amine
CID 88578797
(2E,4Z)-N-methyl-6-(methylsulfanylmethyl)hepta-2,4,6-trien-3-amine
CID 134516437
(4E)-4-[(Z)-3-methylhex-2-enylidene]-1,3-thiazolidine
CID 141971926
2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole
CID 143124042
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine
CID 143383131
Ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole
CID 143500302
(1E,3E)-N,4,5-trimethyl-1-methylsulfanylhexa-1,3,5-trien-1-amine
CID 144901538
(4Z,5E)-5-ethylidene-2-N,3-N-dimethyl-4-prop-2-enylidenethiophene-2,3-diamine
CID 169810715
(4E)-4-[(E)-2-(1-chloroethyl)but-2-enylidene]-5-methylidene-1,3-thiazolidine
CID 169924552
(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine
CID 143256494
5-Methyl-2,3,5,6-tetrahydro-1,3-benzothiazole
CID 143500303

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine?
The IUPAC name of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine (CID 143256493) is ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine.
What is the SMILES notation for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine?
The canonical SMILES for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine is C=C(C)/C=C1/NCSC1=C.CC.CC.
What is the InChIKey of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine?
The InChIKey is XKJCJLAWQYFFFT-ZDTICIBISA-N. The full InChI is InChI=1S/C8H11NS.2C2H6/c1-6(2)4-8-7(3)10-5-9-8;2*1-2/h4,9H,1,3,5H2,2H3;2*1-2H3/b8-4+;;.
What are the key properties of ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine?
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine has a molecular weight of 213.39 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine is sourced from PubChem (CID 143256493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).