(2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine

C9H13NS — CID 89319225

IUPAC(2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine
SMILESC=C/C=C\C=C1/CN[C@@H](C)S1
InChIInChI=1S/C9H13NS/c1-3-4-5-6-9-7-10-8(2)11-9/h3-6,8,10H,1,7H2,2H3/b5-4-,9-6+/t8-/m1/s1
InChIKeySITIPMCULWOUBL-GBXSPLGYSA-N
MW167.28 g/mol
LogP2.29
Rot. Bonds2

About (2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine

(2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine (PubChem CID 89319225) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine.

Molecular Properties

Compound Name(2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine
PubChem CID89319225
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine
SMILESC=C/C=C\C=C1/CN[C@@H](C)S1
InChIInChI=1S/C9H13NS/c1-3-4-5-6-9-7-10-8(2)11-9/h3-6,8,10H,1,7H2,2H3/b5-4-,9-6+/t8-/m1/s1
InChIKeySITIPMCULWOUBL-GBXSPLGYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Vinylthiazolidine
CID 90729878
2-Hexa-2,4-dienyl-1,3-thiazolidine
CID 53994729
2-methylsulfanyl-2,5-dihydro-1H-pyrrole
CID 58653710
2-propylsulfanyl-2,5-dihydro-1H-pyrrole
CID 70438661
(2E,4Z,6E)-N-methyl-7-propylsulfanylocta-2,4,6-trien-1-amine
CID 88269467
(2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine
CID 89367584
2-[(Z)-prop-1-enyl]-1,3-thiazolidine
CID 90944698
(2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine
CID 134365679
(4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane
CID 142056511
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

Frequently Asked Questions

What is the IUPAC name of (2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine?
The IUPAC name of (2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine (CID 89319225) is (2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine.
What is the SMILES notation for (2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine?
The canonical SMILES for (2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine is C=C/C=C\C=C1/CN[C@@H](C)S1.
What is the InChIKey of (2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine?
The InChIKey is SITIPMCULWOUBL-GBXSPLGYSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-4-5-6-9-7-10-8(2)11-9/h3-6,8,10H,1,7H2,2H3/b5-4-,9-6+/t8-/m1/s1.
What are the key properties of (2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine?
(2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine has a molecular weight of 167.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine is sourced from PubChem (CID 89319225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).