3-methyl-4-prop-2-enyl-1,3-thiazolidine

C7H13NS — CID 123679768

IUPAC3-methyl-4-prop-2-enyl-1,3-thiazolidine
SMILESC=CCC1CSCN1C
InChIInChI=1S/C7H13NS/c1-3-4-7-5-9-6-8(7)2/h3,7H,1,4-6H2,2H3
InChIKeyALIVHLNMLHRGSS-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.57
Rot. Bonds2

About 3-methyl-4-prop-2-enyl-1,3-thiazolidine

3-methyl-4-prop-2-enyl-1,3-thiazolidine (PubChem CID 123679768) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 3-methyl-4-prop-2-enyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-methyl-4-prop-2-enyl-1,3-thiazolidine
PubChem CID123679768
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name3-methyl-4-prop-2-enyl-1,3-thiazolidine
SMILESC=CCC1CSCN1C
InChIInChI=1S/C7H13NS/c1-3-4-7-5-9-6-8(7)2/h3,7H,1,4-6H2,2H3
InChIKeyALIVHLNMLHRGSS-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'}

Analyze 3-methyl-4-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

Related Compounds

3-Methyl-4-prop-1-en-2-yl-1,3-thiazolidine
CID 13948591
N,N-dimethyl-2,3-dihydrothiophen-2-amine
CID 18974873
4-Ethenyl-3-methyl-1,3-thiazolidine-2-thione
CID 21324796
N,N,2-trimethyl-3H-thiophen-2-amine
CID 56978141
N,N-diethyl-2-methyl-3H-thiophen-2-amine
CID 57277605
2,2,3,4-Tetrakis(prop-2-enyl)-1,3-thiazolidine
CID 67377688
4,4-Dimethylpent-1-ene;3-methyl-4-propan-2-yl-1,3-thiazolidine
CID 142174144
N,N-dimethyl-2,3-dihydrothiophen-3-amine
CID 150666847
(4R)-3,4-dimethyl-5-methylidene-1,3-thiazolidine
CID 155070776
(4R)-3,5-dimethyl-4-prop-2-enyl-1,3-thiazolidine
CID 166901417
1-(2,3-dihydrothiophen-2-yl)-N,N-dimethylmethanamine
CID 144372425

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-prop-2-enyl-1,3-thiazolidine?
The IUPAC name of 3-methyl-4-prop-2-enyl-1,3-thiazolidine (CID 123679768) is 3-methyl-4-prop-2-enyl-1,3-thiazolidine.
What is the SMILES notation for 3-methyl-4-prop-2-enyl-1,3-thiazolidine?
The canonical SMILES for 3-methyl-4-prop-2-enyl-1,3-thiazolidine is C=CCC1CSCN1C.
What is the InChIKey of 3-methyl-4-prop-2-enyl-1,3-thiazolidine?
The InChIKey is ALIVHLNMLHRGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-3-4-7-5-9-6-8(7)2/h3,7H,1,4-6H2,2H3.
What are the key properties of 3-methyl-4-prop-2-enyl-1,3-thiazolidine?
3-methyl-4-prop-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-methyl-4-prop-2-enyl-1,3-thiazolidine is sourced from PubChem (CID 123679768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).