(2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine

C9H13NS — CID 142272294

IUPAC(2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine
SMILESC=C/C=C1/N[C@@H](C)S/C1=C/C
InChIInChI=1S/C9H13NS/c1-4-6-8-9(5-2)11-7(3)10-8/h4-7,10H,1H2,2-3H3/b8-6+,9-5+/t7-/m1/s1
InChIKeyYGFJBNRXFJNTQZ-KTXAYBNHSA-N
MW167.28 g/mol
LogP2.64
Rot. Bonds1

About (2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine

(2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine (PubChem CID 142272294) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine.

Molecular Properties

Compound Name(2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine
PubChem CID142272294
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine
SMILESC=C/C=C1/N[C@@H](C)S/C1=C/C
InChIInChI=1S/C9H13NS/c1-4-6-8-9(5-2)11-7(3)10-8/h4-7,10H,1H2,2-3H3/b8-6+,9-5+/t7-/m1/s1
InChIKeyYGFJBNRXFJNTQZ-KTXAYBNHSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4-methylidene-1,3-thiazolidine
CID 59716252
2,3a,4,5-tetrahydro-1H-[1,3]thiazolo[5,4-b]azepine
CID 68705072
(2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 89088796
4-Ethenyl-2-methyl-2,3-dihydro-1,3-thiazole
CID 89097205
(2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine
CID 89319225
2-[(Z)-prop-1-enyl]-1,3-thiazolidine
CID 90944698
5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 121275139
4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 137458078
4-[(Z)-prop-1-enyl]-5-[(E)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 141790160
ethane;2-methyl-4-[(E)-2-(3-methylbut-2-en-2-ylsulfanyl)ethenyl]-5-[(E)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 141811446
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine
CID 142054803
(4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane
CID 142056511

Frequently Asked Questions

What is the IUPAC name of (2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine?
The IUPAC name of (2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine (CID 142272294) is (2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine.
What is the SMILES notation for (2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine?
The canonical SMILES for (2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine is C=C/C=C1/N[C@@H](C)S/C1=C/C.
What is the InChIKey of (2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine?
The InChIKey is YGFJBNRXFJNTQZ-KTXAYBNHSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-6-8-9(5-2)11-7(3)10-8/h4-7,10H,1H2,2-3H3/b8-6+,9-5+/t7-/m1/s1.
What are the key properties of (2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine?
(2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine has a molecular weight of 167.28 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine is sourced from PubChem (CID 142272294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).