2-methyl-2-pent-4-enyl-1,3-thiazolidine

C9H17NS — CID 3058785

IUPAC2-methyl-2-pent-4-enyl-1,3-thiazolidine
SMILESC=CCCCC1(C)NCCS1
InChIInChI=1S/C9H17NS/c1-3-4-5-6-9(2)10-7-8-11-9/h3,10H,1,4-8H2,2H3
InChIKeyYLHRPVQUUVBFOW-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.40
Rot. Bonds4

About 2-methyl-2-pent-4-enyl-1,3-thiazolidine

2-methyl-2-pent-4-enyl-1,3-thiazolidine (PubChem CID 3058785) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 2-methyl-2-pent-4-enyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-methyl-2-pent-4-enyl-1,3-thiazolidine
PubChem CID3058785
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name2-methyl-2-pent-4-enyl-1,3-thiazolidine
SMILESC=CCCCC1(C)NCCS1
InChIInChI=1S/C9H17NS/c1-3-4-5-6-9(2)10-7-8-11-9/h3,10H,1,4-8H2,2H3
InChIKeyYLHRPVQUUVBFOW-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pent-4-enyl-1,3-thiazolidine?
The IUPAC name of 2-methyl-2-pent-4-enyl-1,3-thiazolidine (CID 3058785) is 2-methyl-2-pent-4-enyl-1,3-thiazolidine.
What is the SMILES notation for 2-methyl-2-pent-4-enyl-1,3-thiazolidine?
The canonical SMILES for 2-methyl-2-pent-4-enyl-1,3-thiazolidine is C=CCCCC1(C)NCCS1.
What is the InChIKey of 2-methyl-2-pent-4-enyl-1,3-thiazolidine?
The InChIKey is YLHRPVQUUVBFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-3-4-5-6-9(2)10-7-8-11-9/h3,10H,1,4-8H2,2H3.
What are the key properties of 2-methyl-2-pent-4-enyl-1,3-thiazolidine?
2-methyl-2-pent-4-enyl-1,3-thiazolidine has a molecular weight of 171.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pent-4-enyl-1,3-thiazolidine is sourced from PubChem (CID 3058785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).