2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide

C14H19N3OS — CID 135965211

IUPAC2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C14H19N3OS/c1-2-8-15-13(18)9-16-14-17-12(10-19-14)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyNDGIKKLWNYQHCU-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.95
Rot. Bonds5

About 2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide

2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide (PubChem CID 135965211) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide
PubChem CID135965211
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide
SMILESCCCNC(=O)C/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C14H19N3OS/c1-2-8-15-13(18)9-16-14-17-12(10-19-14)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyNDGIKKLWNYQHCU-UHFFFAOYSA-N
XLogP1.95
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.95
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

N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide
CID 136817717
N-[2-(2-methoxyethoxy)ethyl]-4-phenyl-1,3-thiazolidin-2-imine
CID 135965234
2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide
CID 135901131
N-(4-methoxybutyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 135965221
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
N-(3-cyclopentylpropyl)-4-phenyl-1,3-thiazolidin-2-imine
CID 136883428
2-[(3-phenylcyclobutyl)amino]-N-propylacetamide
CID 43632338
4-phenyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazolidin-2-imine
CID 135965275
3-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]-N-ethylpropanamide
CID 136713434
N'-benzyl-N-propylpropanediamide
CID 108940601
2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
CID 96569500
2-[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
CID 124732916

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide?
The IUPAC name of 2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide (CID 135965211) is 2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide?
The canonical SMILES for 2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide is CCCNC(=O)C/N=C1/NC(c2ccccc2)CS1.
What is the InChIKey of 2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide?
The InChIKey is NDGIKKLWNYQHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-8-15-13(18)9-16-14-17-12(10-19-14)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide?
2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide has a molecular weight of 277.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]-N-propylacetamide is sourced from PubChem (CID 135965211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).