2-pentyl-1,2-thiazolidine

C8H17NS — CID 89258598

IUPAC2-pentyl-1,2-thiazolidine
SMILESCCCCCN1CCCS1
InChIInChI=1S/C8H17NS/c1-2-3-4-6-9-7-5-8-10-9/h2-8H2,1H3
InChIKeyXYSIVSUQRVEXHP-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.53
Rot. Bonds4

About 2-pentyl-1,2-thiazolidine

2-pentyl-1,2-thiazolidine (PubChem CID 89258598) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-pentyl-1,2-thiazolidine.

Molecular Properties

Compound Name2-pentyl-1,2-thiazolidine
PubChem CID89258598
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-pentyl-1,2-thiazolidine
SMILESCCCCCN1CCCS1
InChIInChI=1S/C8H17NS/c1-2-3-4-6-9-7-5-8-10-9/h2-8H2,1H3
InChIKeyXYSIVSUQRVEXHP-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1,2-thiazolidine?
The IUPAC name of 2-pentyl-1,2-thiazolidine (CID 89258598) is 2-pentyl-1,2-thiazolidine.
What is the SMILES notation for 2-pentyl-1,2-thiazolidine?
The canonical SMILES for 2-pentyl-1,2-thiazolidine is CCCCCN1CCCS1.
What is the InChIKey of 2-pentyl-1,2-thiazolidine?
The InChIKey is XYSIVSUQRVEXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-3-4-6-9-7-5-8-10-9/h2-8H2,1H3.
What are the key properties of 2-pentyl-1,2-thiazolidine?
2-pentyl-1,2-thiazolidine has a molecular weight of 159.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,2-thiazolidine is sourced from PubChem (CID 89258598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).