3-(2-methylprop-2-enyl)-1,3-thiazolidine

C7H13NS — CID 141025828

IUPAC3-(2-methylprop-2-enyl)-1,3-thiazolidine
SMILESC=C(C)CN1CCSC1
InChIInChI=1S/C7H13NS/c1-7(2)5-8-3-4-9-6-8/h1,3-6H2,2H3
InChIKeyFVFRMHHCVWPDCX-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.57
Rot. Bonds2

About 3-(2-methylprop-2-enyl)-1,3-thiazolidine

3-(2-methylprop-2-enyl)-1,3-thiazolidine (PubChem CID 141025828) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)-1,3-thiazolidine
PubChem CID141025828
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-(2-methylprop-2-enyl)-1,3-thiazolidine
SMILESC=C(C)CN1CCSC1
InChIInChI=1S/C7H13NS/c1-7(2)5-8-3-4-9-6-8/h1,3-6H2,2H3
InChIKeyFVFRMHHCVWPDCX-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-4-prop-1-en-2-yl-1,3-thiazolidine
CID 13948591
3-[(E)-but-2-enyl]-1,3-thiazolidine
CID 68054128
2,3,5-Trimethyl-2,4-dihydro-1,3-thiazine
CID 89217846
1-[(Z)-3-tert-butylsulfanyl-2-methylsulfanylprop-2-enyl]pyrrolidine
CID 10824289

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enyl)-1,3-thiazolidine?
The IUPAC name of 3-(2-methylprop-2-enyl)-1,3-thiazolidine (CID 141025828) is 3-(2-methylprop-2-enyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(2-methylprop-2-enyl)-1,3-thiazolidine?
The canonical SMILES for 3-(2-methylprop-2-enyl)-1,3-thiazolidine is C=C(C)CN1CCSC1.
What is the InChIKey of 3-(2-methylprop-2-enyl)-1,3-thiazolidine?
The InChIKey is FVFRMHHCVWPDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-7(2)5-8-3-4-9-6-8/h1,3-6H2,2H3.
What are the key properties of 3-(2-methylprop-2-enyl)-1,3-thiazolidine?
3-(2-methylprop-2-enyl)-1,3-thiazolidine has a molecular weight of 143.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enyl)-1,3-thiazolidine is sourced from PubChem (CID 141025828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).