2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine

C10H19NS — CID 14510633

IUPAC2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine
SMILESC=CC(C)(C(C)C)C1NCCS1
InChIInChI=1S/C10H19NS/c1-5-10(4,8(2)3)9-11-6-7-12-9/h5,8-9,11H,1,6-7H2,2-4H3
InChIKeyNHTAAQJKGKNUNO-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.50
Rot. Bonds3

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

2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine (PubChem CID 14510633) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine
PubChem CID14510633
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine
SMILESC=CC(C)(C(C)C)C1NCCS1
InChIInChI=1S/C10H19NS/c1-5-10(4,8(2)3)9-11-6-7-12-9/h5,8-9,11H,1,6-7H2,2-4H3
InChIKeyNHTAAQJKGKNUNO-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.50
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-N-[(2-methyl-3H-thiophen-2-yl)methyl]propan-1-amine
CID 57186297
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-Methylpent-1-en-3-yl)-1,3-thiazolidine
CID 14510630
2-(3,4-Dimethylpent-1-en-3-yl)-4,4-dimethyl-1,3-thiazolidine
CID 14510641
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine?
The IUPAC name of 2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine (CID 14510633) is 2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine.
What is the SMILES notation for 2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine?
The canonical SMILES for 2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine is C=CC(C)(C(C)C)C1NCCS1.
What is the InChIKey of 2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine?
The InChIKey is NHTAAQJKGKNUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-5-10(4,8(2)3)9-11-6-7-12-9/h5,8-9,11H,1,6-7H2,2-4H3.
What are the key properties of 2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine?
2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine has a molecular weight of 185.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpent-1-en-3-yl)-1,3-thiazolidine is sourced from PubChem (CID 14510633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).