2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine

C11H21NS — CID 14510635

IUPAC2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine
SMILESC=C(C)C(C)(C)C1NC(CC)CS1
InChIInChI=1S/C11H21NS/c1-6-9-7-13-10(12-9)11(4,5)8(2)3/h9-10,12H,2,6-7H2,1,3-5H3
InChIKeyCWZGCFVXBDUXDW-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.03
Rot. Bonds3

About 2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine

2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine (PubChem CID 14510635) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine
PubChem CID14510635
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine
SMILESC=C(C)C(C)(C)C1NC(CC)CS1
InChIInChI=1S/C11H21NS/c1-6-9-7-13-10(12-9)11(4,5)8(2)3/h9-10,12H,2,6-7H2,1,3-5H3
InChIKeyCWZGCFVXBDUXDW-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine?
The IUPAC name of 2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine (CID 14510635) is 2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine?
The canonical SMILES for 2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine is C=C(C)C(C)(C)C1NC(CC)CS1.
What is the InChIKey of 2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine?
The InChIKey is CWZGCFVXBDUXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-6-9-7-13-10(12-9)11(4,5)8(2)3/h9-10,12H,2,6-7H2,1,3-5H3.
What are the key properties of 2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine?
2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine has a molecular weight of 199.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbut-3-en-2-yl)-4-ethyl-1,3-thiazolidine is sourced from PubChem (CID 14510635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).