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

C13H25N3OS — CID 136748295

IUPAC2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C13H25N3OS/c1-5-13(6-2)10-18-12(15-13)14-9-11(17)16(7-3)8-4/h5-10H2,1-4H3,(H,14,15)
InChIKeyOWNZVRCRVMZINI-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.11
Rot. Bonds6

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

2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide (PubChem CID 136748295) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide
PubChem CID136748295
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C13H25N3OS/c1-5-13(6-2)10-18-12(15-13)14-9-11(17)16(7-3)8-4/h5-10H2,1-4H3,(H,14,15)
InChIKeyOWNZVRCRVMZINI-UHFFFAOYSA-N
XLogP2.11
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
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 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide (CID 136748295) is 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide is CCN(CC)C(=O)C/N=C1/NC(CC)(CC)CS1.
What is the InChIKey of 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide?
The InChIKey is OWNZVRCRVMZINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-13(6-2)10-18-12(15-13)14-9-11(17)16(7-3)8-4/h5-10H2,1-4H3,(H,14,15).
What are the key properties of 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide?
2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide has a molecular weight of 271.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide is sourced from PubChem (CID 136748295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).