2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine

C9H17NS — CID 6447466

IUPAC2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine
SMILESC/C=C/CCC1(C)NCCS1
InChIInChI=1S/C9H17NS/c1-3-4-5-6-9(2)10-7-8-11-9/h3-4,10H,5-8H2,1-2H3/b4-3+
InChIKeyNUWRRQVAYLJYHI-ONEGZZNKSA-N
MW171.31 g/mol
LogP2.40
Rot. Bonds3

About 2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine

2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine (PubChem CID 6447466) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine
PubChem CID6447466
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine
SMILESC/C=C/CCC1(C)NCCS1
InChIInChI=1S/C9H17NS/c1-3-4-5-6-9(2)10-7-8-11-9/h3-4,10H,5-8H2,1-2H3/b4-3+
InChIKeyNUWRRQVAYLJYHI-ONEGZZNKSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.40
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

2-Methyl-2-(4-methylpent-3-en-1-yl)-1,3-thiazolidine
CID 3040236
2-Methyl-2-(pent-4-en-1-yl)-1,3-thiazolidine
CID 3058785
2-(3,4-Dimethylpent-3-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058790
Thiazolidine, 2-(hex-2-en-5-ynyl)-2-methyl-, (E)-
CID 6366650
Thiazolidine, 2-(3-pentenyl)-, (E)-
CID 6447464
Thiazolidine, 2-(3-heptenyl)-2-methyl-, (E)-
CID 6447468
Thiazolidine, 2-(3,6-heptadienyl)-2-methyl-, (E)-
CID 6447469
2-(But-3-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058778
Thiazolidine, 2-methyl-2-(3,4-pentadienyl)-
CID 3058789
2-(Hex-5-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058791
Thiazolidine, 2-(4,5-hexadienyl)-2-methyl-
CID 3058793
Thiazolidine, 2-(3,5-hexadienyl)-2-methyl-, (E)-
CID 6447467

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine?
The IUPAC name of 2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine (CID 6447466) is 2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine.
What is the SMILES notation for 2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine?
The canonical SMILES for 2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine is C/C=C/CCC1(C)NCCS1.
What is the InChIKey of 2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine?
The InChIKey is NUWRRQVAYLJYHI-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-4-5-6-9(2)10-7-8-11-9/h3-4,10H,5-8H2,1-2H3/b4-3+.
What are the key properties of 2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine?
2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine has a molecular weight of 171.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine is sourced from PubChem (CID 6447466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).