2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine

C9H17NS — CID 14510630

IUPAC2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine
SMILESC=CC(C)(CC)C1NCCS1
InChIInChI=1S/C9H17NS/c1-4-9(3,5-2)8-10-6-7-11-8/h4,8,10H,1,5-7H2,2-3H3
InChIKeyRTEHPDVQJDWGOA-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.25
Rot. Bonds3

About 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine

2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine (PubChem CID 14510630) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine
PubChem CID14510630
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine
SMILESC=CC(C)(CC)C1NCCS1
InChIInChI=1S/C9H17NS/c1-4-9(3,5-2)8-10-6-7-11-8/h4,8,10H,1,5-7H2,2-3H3
InChIKeyRTEHPDVQJDWGOA-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiazolidine, 2-(1,1-dimethylallyl)-2-methyl-
CID 3058777
2-(But-3-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058778
2-Pentyl-5,5-bis(prop-2-enyl)-1,3-thiazolidine
CID 69921126
4-Tert-butyl-2-ethenyl-1,3-thiazolidine
CID 155472918
2-Pent-1-en-3-yl-1,3-thiazolidine
CID 13901686
2-(2-Methylbut-3-en-2-yl)-1,3-thiazolidine
CID 13901691
5-Methyl-2-(2-methylbut-3-en-2-yl)-1,3-thiazolidine
CID 13901692
5-Ethyl-2-(2-methylbut-3-en-2-yl)-1,3-thiazolidine
CID 13901693
4-Ethyl-2-(2-methylbut-3-en-2-yl)-1,3-thiazolidine
CID 13901694
4,4-Dimethyl-2-(2-methylbut-3-en-2-yl)-1,3-thiazolidine
CID 13901695
2-(3,4-Dimethylpent-1-en-3-yl)-1,3-thiazolidine
CID 14510633
4-Ethyl-2-(1,1,2-trimethyl-2-propen-1-yl)thiazolidine
CID 14510635

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine?
The IUPAC name of 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine (CID 14510630) is 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine.
What is the SMILES notation for 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine?
The canonical SMILES for 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine is C=CC(C)(CC)C1NCCS1.
What is the InChIKey of 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine?
The InChIKey is RTEHPDVQJDWGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-4-9(3,5-2)8-10-6-7-11-8/h4,8,10H,1,5-7H2,2-3H3.
What are the key properties of 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine?
2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine has a molecular weight of 171.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine is sourced from PubChem (CID 14510630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).