2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine

C8H15NS — CID 86300585

IUPAC2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine
SMILESC=CCN1CCSC1(C)C
InChIInChI=1S/C8H15NS/c1-4-5-9-6-7-10-8(9,2)3/h4H,1,5-7H2,2-3H3
InChIKeyDSMNUTWERKCQER-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.96
Rot. Bonds2

About 2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine

2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine (PubChem CID 86300585) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine.

Molecular Properties

Compound Name2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine
PubChem CID86300585
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine
SMILESC=CCN1CCSC1(C)C
InChIInChI=1S/C8H15NS/c1-4-5-9-6-7-10-8(9,2)3/h4H,1,5-7H2,2-3H3
InChIKeyDSMNUTWERKCQER-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine?
The IUPAC name of 2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine (CID 86300585) is 2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine.
What is the SMILES notation for 2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine?
The canonical SMILES for 2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine is C=CCN1CCSC1(C)C.
What is the InChIKey of 2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine?
The InChIKey is DSMNUTWERKCQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-4-5-9-6-7-10-8(9,2)3/h4H,1,5-7H2,2-3H3.
What are the key properties of 2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine?
2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine has a molecular weight of 157.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-prop-2-enyl-1,3-thiazolidine is sourced from PubChem (CID 86300585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).