1-(1,3-thiazolidin-3-yl)ethanimine

C5H10N2S — CID 59020682

IUPAC1-(1,3-thiazolidin-3-yl)ethanimine
SMILES[H]/N=C(\C)N1CCSC1
InChIInChI=1S/C5H10N2S/c1-5(6)7-2-3-8-4-7/h6H,2-4H2,1H3/b6-5+
InChIKeyKYDMMOGHMYYDIV-AATRIKPKSA-N
MW130.22 g/mol
LogP0.99
Rot. Bonds

About 1-(1,3-thiazolidin-3-yl)ethanimine

1-(1,3-thiazolidin-3-yl)ethanimine (PubChem CID 59020682) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 1-(1,3-thiazolidin-3-yl)ethanimine.

Molecular Properties

Compound Name1-(1,3-thiazolidin-3-yl)ethanimine
PubChem CID59020682
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name1-(1,3-thiazolidin-3-yl)ethanimine
SMILES[H]/N=C(\C)N1CCSC1
InChIInChI=1S/C5H10N2S/c1-5(6)7-2-3-8-4-7/h6H,2-4H2,1H3/b6-5+
InChIKeyKYDMMOGHMYYDIV-AATRIKPKSA-N
XLogP0.99
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazolidin-3-yl)ethanimine?
The IUPAC name of 1-(1,3-thiazolidin-3-yl)ethanimine (CID 59020682) is 1-(1,3-thiazolidin-3-yl)ethanimine.
What is the SMILES notation for 1-(1,3-thiazolidin-3-yl)ethanimine?
The canonical SMILES for 1-(1,3-thiazolidin-3-yl)ethanimine is [H]/N=C(\C)N1CCSC1.
What is the InChIKey of 1-(1,3-thiazolidin-3-yl)ethanimine?
The InChIKey is KYDMMOGHMYYDIV-AATRIKPKSA-N. The full InChI is InChI=1S/C5H10N2S/c1-5(6)7-2-3-8-4-7/h6H,2-4H2,1H3/b6-5+.
What are the key properties of 1-(1,3-thiazolidin-3-yl)ethanimine?
1-(1,3-thiazolidin-3-yl)ethanimine has a molecular weight of 130.22 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazolidin-3-yl)ethanimine is sourced from PubChem (CID 59020682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).