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

C14H27N3OS — CID 136830040

IUPAC2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C14H27N3OS/c1-6-14(7-2)10-19-13(16-14)15-11(5)12(18)17(8-3)9-4/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyUORFZKXSHKPZCL-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.49
Rot. Bonds6

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

2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide (PubChem CID 136830040) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide
PubChem CID136830040
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C14H27N3OS/c1-6-14(7-2)10-19-13(16-14)15-11(5)12(18)17(8-3)9-4/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyUORFZKXSHKPZCL-UHFFFAOYSA-N
XLogP2.49
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.49
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-diethylpropanamide?
The IUPAC name of 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide (CID 136830040) is 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)/N=C1/NC(CC)(CC)CS1.
What is the InChIKey of 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide?
The InChIKey is UORFZKXSHKPZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-6-14(7-2)10-19-13(16-14)15-11(5)12(18)17(8-3)9-4/h11H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide?
2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide has a molecular weight of 285.46 g/mol, XLogP of 2.49, 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-diethylpropanamide is sourced from PubChem (CID 136830040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).