(4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane

C12H25NS — CID 142056511

IUPAC(4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane
SMILESC/C=C1/NC(C)S/C1=C/C.CC.CC
InChIInChI=1S/C8H13NS.2C2H6/c1-4-7-8(5-2)10-6(3)9-7;2*1-2/h4-6,9H,1-3H3;2*1-2H3/b7-4+,8-5+;;
InChIKeyYUSMUSWZMXERHL-PZOTUAEBSA-N
MW215.41 g/mol
LogP4.53
Rot. Bonds

About (4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane

(4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane (PubChem CID 142056511) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is (4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane.

Molecular Properties

Compound Name(4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane
PubChem CID142056511
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name(4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane
SMILESC/C=C1/NC(C)S/C1=C/C.CC.CC
InChIInChI=1S/C8H13NS.2C2H6/c1-4-7-8(5-2)10-6(3)9-7;2*1-2/h4-6,9H,1-3H3;2*1-2H3/b7-4+,8-5+;;
InChIKeyYUSMUSWZMXERHL-PZOTUAEBSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine
CID 89319225
2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 142099508
4,5-Bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole
CID 142208699
(2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine
CID 142272294
5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 142884232
5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-thiazine;ethane
CID 143072352
2-Methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole
CID 143124040
4,5-Bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole;ethane
CID 143321442
(2E)-N-[2-[(E)-but-2-en-2-yl]sulfanylethyl]penta-2,4-dien-2-amine
CID 154968440
2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 163429902
2,5-dimethyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 163896758
(4E,5E)-2-tert-butyl-4-ethylidene-5-prop-2-enylidene-1,3-thiazolidine
CID 170279800

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane?
The IUPAC name of (4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane (CID 142056511) is (4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane.
What is the SMILES notation for (4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane?
The canonical SMILES for (4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane is C/C=C1/NC(C)S/C1=C/C.CC.CC.
What is the InChIKey of (4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane?
The InChIKey is YUSMUSWZMXERHL-PZOTUAEBSA-N. The full InChI is InChI=1S/C8H13NS.2C2H6/c1-4-7-8(5-2)10-6(3)9-7;2*1-2/h4-6,9H,1-3H3;2*1-2H3/b7-4+,8-5+;;.
What are the key properties of (4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane?
(4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane has a molecular weight of 215.41 g/mol, XLogP of 4.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane is sourced from PubChem (CID 142056511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).