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

C11H21NS — CID 15922059

IUPAC2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine
SMILESC=C(C)CC1(C(C)(C)C)NCCS1
InChIInChI=1S/C11H21NS/c1-9(2)8-11(10(3,4)5)12-6-7-13-11/h12H,1,6-8H2,2-5H3
InChIKeyRUONVKKCVKERHJ-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.03
Rot. Bonds2

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

2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine (PubChem CID 15922059) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine
PubChem CID15922059
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine
SMILESC=C(C)CC1(C(C)(C)C)NCCS1
InChIInChI=1S/C11H21NS/c1-9(2)8-11(10(3,4)5)12-6-7-13-11/h12H,1,6-8H2,2-5H3
InChIKeyRUONVKKCVKERHJ-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-2-(2-methylprop-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

Thiazolidine, 2-(1,1-dimethylallyl)-2-methyl-
CID 3058777
2-Methyl-2-(3-methylbut-3-en-1-yl)-1,3-thiazolidine
CID 3058781
2-[1-(3,3-Dimethylbutylsulfanyl)ethenyl]-2-methylpyrrolidine
CID 118333716
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-(2,3-Dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine
CID 14510645
2-But-3-en-2-yl-2-propan-2-yl-1,3-thiazolidine
CID 15922051
2-Tert-butyl-2-prop-2-enyl-1,3-thiazolidine
CID 15922069
N-ethyl-3-methyl-1-(2-methylthiolan-2-yl)but-3-en-1-amine
CID 105162950
N-ethyl-3-methyl-1-(thiolan-3-yl)but-3-en-1-amine
CID 105163025
3-methyl-N-propyl-1-(thiolan-3-yl)but-3-en-1-amine
CID 105163034

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine?
The IUPAC name of 2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine (CID 15922059) is 2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine.
What is the SMILES notation for 2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine?
The canonical SMILES for 2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine is C=C(C)CC1(C(C)(C)C)NCCS1.
What is the InChIKey of 2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine?
The InChIKey is RUONVKKCVKERHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9(2)8-11(10(3,4)5)12-6-7-13-11/h12H,1,6-8H2,2-5H3.
What are the key properties of 2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine?
2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine has a molecular weight of 199.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-(2-methylprop-2-enyl)-1,3-thiazolidine is sourced from PubChem (CID 15922059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).