2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine

C10H19NS — CID 14510645

IUPAC2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine
SMILESC=C(C)C(C)(C)C1NCC(C)S1
InChIInChI=1S/C10H19NS/c1-7(2)10(4,5)9-11-6-8(3)12-9/h8-9,11H,1,6H2,2-5H3
InChIKeyLSQUDSFRUOTOAF-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.64
Rot. Bonds2

About 2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine

2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine (PubChem CID 14510645) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine
PubChem CID14510645
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine
SMILESC=C(C)C(C)(C)C1NCC(C)S1
InChIInChI=1S/C10H19NS/c1-7(2)10(4,5)9-11-6-8(3)12-9/h8-9,11H,1,6H2,2-5H3
InChIKeyLSQUDSFRUOTOAF-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.64
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-Methyl-2-(3-methylbut-3-en-1-yl)-1,3-thiazolidine
CID 3058781
2-(2-Methylprop-2-enyl)-1,3-thiazolidine
CID 13901679
2-(2,2-Dimethylpropyl)-1,3-thiazolidine
CID 53651553
2-(4-Methylpent-3-en-1-yl)-1,3-thiazolidine
CID 71365936
2-(2-Methylbutan-2-yl)-1,3-thiazolidine
CID 131008284
2-Pent-1-en-3-yl-1,3-thiazolidine
CID 13901686
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
2-(3-Methylpent-1-en-3-yl)-1,3-thiazolidine
CID 14510630
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-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine?
The IUPAC name of 2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine (CID 14510645) is 2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine?
The canonical SMILES for 2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine is C=C(C)C(C)(C)C1NCC(C)S1.
What is the InChIKey of 2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine?
The InChIKey is LSQUDSFRUOTOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-7(2)10(4,5)9-11-6-8(3)12-9/h8-9,11H,1,6H2,2-5H3.
What are the key properties of 2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine?
2-(2,3-dimethylbut-3-en-2-yl)-5-methyl-1,3-thiazolidine has a molecular weight of 185.34 g/mol, XLogP of 2.64, 2 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)-5-methyl-1,3-thiazolidine is sourced from PubChem (CID 14510645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).