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

C12H23N3OS — CID 136951355

IUPAC3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide
SMILESCCNC(=O)CC/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C12H23N3OS/c1-4-12(5-2)9-17-11(15-12)14-8-7-10(16)13-6-3/h4-9H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyFTXDWXBNQMRJDM-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.76
Rot. Bonds6

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

3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide (PubChem CID 136951355) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide
PubChem CID136951355
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide
SMILESCCNC(=O)CC/N=C1/NC(CC)(CC)CS1
InChIInChI=1S/C12H23N3OS/c1-4-12(5-2)9-17-11(15-12)14-8-7-10(16)13-6-3/h4-9H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyFTXDWXBNQMRJDM-UHFFFAOYSA-N
XLogP1.76
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]-N-propylpropanamide
CID 136987649
2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide
CID 136984877
N-tert-butyl-3-(3-thia-1-azaspiro[4.5]decan-2-ylideneamino)propanamide
CID 136713462
3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide
CID 136713434
5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one
CID 135978278
N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 136954513
4,4-diethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine
CID 136824830
N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine
CID 135977171
2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide
CID 135901131
4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine
CID 136762681
3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide
CID 136933415
2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide
CID 136748256

Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide?
The IUPAC name of 3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide (CID 136951355) is 3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide?
The canonical SMILES for 3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide is CCNC(=O)CC/N=C1/NC(CC)(CC)CS1.
What is the InChIKey of 3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide?
The InChIKey is FTXDWXBNQMRJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-4-12(5-2)9-17-11(15-12)14-8-7-10(16)13-6-3/h4-9H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide?
3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide has a molecular weight of 257.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide is sourced from PubChem (CID 136951355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).