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

C8H11NS — CID 143383131

IUPAC(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine
SMILESC=C(C)/C=C1/SCNC1=C
InChIInChI=1S/C8H11NS/c1-6(2)4-8-7(3)9-5-10-8/h4,9H,1,3,5H2,2H3/b8-4+
InChIKeyNYTWRUYCOJCPDP-XBXARRHUSA-N
MW153.25 g/mol
LogP2.25
Rot. Bonds1

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

(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine (PubChem CID 143383131) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine.

Molecular Properties

Compound Name(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine
PubChem CID143383131
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine
SMILESC=C(C)/C=C1/SCNC1=C
InChIInChI=1S/C8H11NS/c1-6(2)4-8-7(3)9-5-10-8/h4,9H,1,3,5H2,2H3/b8-4+
InChIKeyNYTWRUYCOJCPDP-XBXARRHUSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine
CID 143256493
Ethane;5-methyl-2,3,5,6-tetrahydro-1,3-benzothiazole
CID 143500302
(4Z,5E)-4,5-di(ethylidene)-N-methylthiophen-3-amine
CID 144626603
(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
(4E,5E)-5-ethylidene-2-methylidene-4-propylidene-1,3-thiazolidine
CID 145377012

Frequently Asked Questions

What is the IUPAC name of (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine?
The IUPAC name of (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine (CID 143383131) is (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine.
What is the SMILES notation for (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine?
The canonical SMILES for (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine is C=C(C)/C=C1/SCNC1=C.
What is the InChIKey of (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine?
The InChIKey is NYTWRUYCOJCPDP-XBXARRHUSA-N. The full InChI is InChI=1S/C8H11NS/c1-6(2)4-8-7(3)9-5-10-8/h4,9H,1,3,5H2,2H3/b8-4+.
What are the key properties of (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine?
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine has a molecular weight of 153.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine is sourced from PubChem (CID 143383131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).