4-tert-butyl-2-ethenyl-1,3-thiazolidine

C9H17NS — CID 155472918

IUPAC4-tert-butyl-2-ethenyl-1,3-thiazolidine
SMILESC=CC1NC(C(C)(C)C)CS1
InChIInChI=1S/C9H17NS/c1-5-8-10-7(6-11-8)9(2,3)4/h5,7-8,10H,1,6H2,2-4H3
InChIKeyUEEQMNQIZJZRFY-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.25
Rot. Bonds1

About 4-tert-butyl-2-ethenyl-1,3-thiazolidine

4-tert-butyl-2-ethenyl-1,3-thiazolidine (PubChem CID 155472918) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-tert-butyl-2-ethenyl-1,3-thiazolidine.

Molecular Properties

Compound Name4-tert-butyl-2-ethenyl-1,3-thiazolidine
PubChem CID155472918
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-tert-butyl-2-ethenyl-1,3-thiazolidine
SMILESC=CC1NC(C(C)(C)C)CS1
InChIInChI=1S/C9H17NS/c1-5-8-10-7(6-11-8)9(2,3)4/h5,7-8,10H,1,6H2,2-4H3
InChIKeyUEEQMNQIZJZRFY-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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
4-Tert-butyl-2-methyl-1,3-thiazolidine
CID 13776193
2,4-Ditert-butyl-1,3-thiazolidine
CID 118444713
2-But-3-en-2-yl-4-ethyl-1,3-thiazolidine
CID 13901684
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-Methylpent-1-en-3-yl)-1,3-thiazolidine
CID 14510630
4-Ethyl-2-(1,1,2-trimethyl-2-propen-1-yl)thiazolidine
CID 14510635
5-Methyl-2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine
CID 14510644
2-Tert-butyl-2-prop-2-enyl-1,3-thiazolidine
CID 15922069
N-(thiolan-3-ylmethyl)but-3-en-2-amine
CID 107132433
N-[(E)-but-2-enyl]-4-methylthiolan-3-amine
CID 131232379

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-ethenyl-1,3-thiazolidine?
The IUPAC name of 4-tert-butyl-2-ethenyl-1,3-thiazolidine (CID 155472918) is 4-tert-butyl-2-ethenyl-1,3-thiazolidine.
What is the SMILES notation for 4-tert-butyl-2-ethenyl-1,3-thiazolidine?
The canonical SMILES for 4-tert-butyl-2-ethenyl-1,3-thiazolidine is C=CC1NC(C(C)(C)C)CS1.
What is the InChIKey of 4-tert-butyl-2-ethenyl-1,3-thiazolidine?
The InChIKey is UEEQMNQIZJZRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-5-8-10-7(6-11-8)9(2,3)4/h5,7-8,10H,1,6H2,2-4H3.
What are the key properties of 4-tert-butyl-2-ethenyl-1,3-thiazolidine?
4-tert-butyl-2-ethenyl-1,3-thiazolidine has a molecular weight of 171.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-ethenyl-1,3-thiazolidine is sourced from PubChem (CID 155472918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).