2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide

C12H23N3O2S — CID 136951342

IUPAC2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide
SMILESCCC1(CC)CS/C(=N\CC(=O)NCCOC)N1
InChIInChI=1S/C12H23N3O2S/c1-4-12(5-2)9-18-11(15-12)14-8-10(16)13-6-7-17-3/h4-9H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyAXXCSBQZJCIJPL-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.00
Rot. Bonds7

About 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide

2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 136951342) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide
PubChem CID136951342
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide
SMILESCCC1(CC)CS/C(=N\CC(=O)NCCOC)N1
InChIInChI=1S/C12H23N3O2S/c1-4-12(5-2)9-18-11(15-12)14-8-10(16)13-6-7-17-3/h4-9H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyAXXCSBQZJCIJPL-UHFFFAOYSA-N
XLogP1.00
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide (CID 136951342) is 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide is CCC1(CC)CS/C(=N\CC(=O)NCCOC)N1.
What is the InChIKey of 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is AXXCSBQZJCIJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-12(5-2)9-18-11(15-12)14-8-10(16)13-6-7-17-3/h4-9H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide?
2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 273.40 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 136951342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).