2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide

C9H17N3O2S — CID 11075259

IUPAC2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide
SMILESCC/N=C1\SC(OC)CN1CC(=O)NC
InChIInChI=1S/C9H17N3O2S/c1-4-11-9-12(5-7(13)10-2)6-8(14-3)15-9/h8H,4-6H2,1-3H3,(H,10,13)/b11-9-
InChIKeyXUAZKXDNZGSHSM-LUAWRHEFSA-N
MW231.32 g/mol
LogP0.13
Rot. Bonds4

About 2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide

2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide (PubChem CID 11075259) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide
PubChem CID11075259
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide
SMILESCC/N=C1\SC(OC)CN1CC(=O)NC
InChIInChI=1S/C9H17N3O2S/c1-4-11-9-12(5-7(13)10-2)6-8(14-3)15-9/h8H,4-6H2,1-3H3,(H,10,13)/b11-9-
InChIKeyXUAZKXDNZGSHSM-LUAWRHEFSA-N
XLogP0.13
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide?
The IUPAC name of 2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide (CID 11075259) is 2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide is CC/N=C1\SC(OC)CN1CC(=O)NC.
What is the InChIKey of 2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide?
The InChIKey is XUAZKXDNZGSHSM-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-4-11-9-12(5-7(13)10-2)6-8(14-3)15-9/h8H,4-6H2,1-3H3,(H,10,13)/b11-9-.
What are the key properties of 2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide?
2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide has a molecular weight of 231.32 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimino-5-methoxy-1,3-thiazolidin-3-yl)-N-methylacetamide is sourced from PubChem (CID 11075259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).