3-pentyl-1,3-thiazolidin-2-imine

C8H16N2S — CID 89373581

IUPAC3-pentyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1CCCCC
InChIInChI=1S/C8H16N2S/c1-2-3-4-5-10-6-7-11-8(10)9/h9H,2-7H2,1H3/b9-8-
InChIKeyUQUDWMPSARDGPY-HJWRWDBZSA-N
MW172.30 g/mol
LogP2.16
Rot. Bonds4

About 3-pentyl-1,3-thiazolidin-2-imine

3-pentyl-1,3-thiazolidin-2-imine (PubChem CID 89373581) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 3-pentyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-pentyl-1,3-thiazolidin-2-imine
PubChem CID89373581
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name3-pentyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1CCCCC
InChIInChI=1S/C8H16N2S/c1-2-3-4-5-10-6-7-11-8(10)9/h9H,2-7H2,1H3/b9-8-
InChIKeyUQUDWMPSARDGPY-HJWRWDBZSA-N
XLogP2.16
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-1,3-thiazolidin-2-imine?
The IUPAC name of 3-pentyl-1,3-thiazolidin-2-imine (CID 89373581) is 3-pentyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-pentyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-pentyl-1,3-thiazolidin-2-imine is [H]/N=C1\SCCN1CCCCC.
What is the InChIKey of 3-pentyl-1,3-thiazolidin-2-imine?
The InChIKey is UQUDWMPSARDGPY-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H16N2S/c1-2-3-4-5-10-6-7-11-8(10)9/h9H,2-7H2,1H3/b9-8-.
What are the key properties of 3-pentyl-1,3-thiazolidin-2-imine?
3-pentyl-1,3-thiazolidin-2-imine has a molecular weight of 172.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 89373581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).