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

C15H21N3OS — CID 136713434

IUPAC3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide
SMILESCCNC(=O)CC/N=C1/NC(Cc2ccccc2)CS1
InChIInChI=1S/C15H21N3OS/c1-2-16-14(19)8-9-17-15-18-13(11-20-15)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyOSOPSOUWJVPUCA-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.82
Rot. Bonds6

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

3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide (PubChem CID 136713434) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide
PubChem CID136713434
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide
SMILESCCNC(=O)CC/N=C1/NC(Cc2ccccc2)CS1
InChIInChI=1S/C15H21N3OS/c1-2-16-14(19)8-9-17-15-18-13(11-20-15)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyOSOPSOUWJVPUCA-UHFFFAOYSA-N
XLogP1.82
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.82
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

4-benzyl-N-octyl-1,3-thiazolidin-2-imine
CID 136920389
2-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethoxy]acetamide
CID 136805731
4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine
CID 136765013
N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine
CID 136666955
4-benzyl-N-[2-(triazol-1-yl)ethyl]-1,3-thiazolidin-2-imine
CID 136824816
4-benzyl-N-(furan-3-ylmethyl)-1,3-thiazolidin-2-imine
CID 136960723
3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N-(2-methylpropyl)propanamide
CID 136933415
3-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide
CID 136951355
2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide
CID 135965211
N-tert-butyl-3-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136933414
N-benzyl-3-[bis(ethylamino)methylideneamino]propanamide
CID 110916950
N-ethyl-6-phenylhexanamide
CID 70953257

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide?
The IUPAC name of 3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide (CID 136713434) is 3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide?
The canonical SMILES for 3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide is CCNC(=O)CC/N=C1/NC(Cc2ccccc2)CS1.
What is the InChIKey of 3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide?
The InChIKey is OSOPSOUWJVPUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-16-14(19)8-9-17-15-18-13(11-20-15)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide?
3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide has a molecular weight of 291.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide is sourced from PubChem (CID 136713434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).