3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine

C10H14N2S2 — CID 4852846

IUPAC3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine
SMILESCCN1CCS/C1=N\Cc1cccs1
InChIInChI=1S/C10H14N2S2/c1-2-12-5-7-14-10(12)11-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3/b11-10-
InChIKeyZRJDZNATPKMDDU-KHPPLWFESA-N
MW226.37 g/mol
LogP2.67
Rot. Bonds3

About 3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine

3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine (PubChem CID 4852846) has the molecular formula C10H14N2S2 and a molecular weight of 226.37 g/mol. Its IUPAC name is 3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine
PubChem CID4852846
Molecular FormulaC10H14N2S2
Molecular Weight226.37 g/mol
Exact Mass226.06
IUPAC Name3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine
SMILESCCN1CCS/C1=N\Cc1cccs1
InChIInChI=1S/C10H14N2S2/c1-2-12-5-7-14-10(12)11-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3/b11-10-
InChIKeyZRJDZNATPKMDDU-KHPPLWFESA-N
XLogP2.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine (CID 4852846) is 3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine is CCN1CCS/C1=N\Cc1cccs1.
What is the InChIKey of 3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine?
The InChIKey is ZRJDZNATPKMDDU-KHPPLWFESA-N. The full InChI is InChI=1S/C10H14N2S2/c1-2-12-5-7-14-10(12)11-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3/b11-10-.
What are the key properties of 3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine?
3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine has a molecular weight of 226.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 4852846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).