2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C16H19N5O3S — CID 170012627

IUPAC2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=CN/N=C1\NC(=O)C(CC(=O)Nc2ccc(N3CCCC3)cc2)S1
InChIInChI=1S/C16H19N5O3S/c22-10-17-20-16-19-15(24)13(25-16)9-14(23)18-11-3-5-12(6-4-11)21-7-1-2-8-21/h3-6,10,13H,1-2,7-9H2,(H,17,22)(H,18,23)(H,19,20,24)
InChIKeyPVEBOZDHRRCYHG-UHFFFAOYSA-N
MW361.43 g/mol
LogP0.86
Rot. Bonds6

About 2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 170012627) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID170012627
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=CN/N=C1\NC(=O)C(CC(=O)Nc2ccc(N3CCCC3)cc2)S1
InChIInChI=1S/C16H19N5O3S/c22-10-17-20-16-19-15(24)13(25-16)9-14(23)18-11-3-5-12(6-4-11)21-7-1-2-8-21/h3-6,10,13H,1-2,7-9H2,(H,17,22)(H,18,23)(H,19,20,24)
InChIKeyPVEBOZDHRRCYHG-UHFFFAOYSA-N
XLogP0.86
TPSA102.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-oxo-2-[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 153327113
2-[(2E)-2-[(E)-(3,4-dihydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 137291856
2-[(2E,5S)-2-(acetylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-bromophenyl)acetamide
CID 135725374
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 2135569
N-(4-fluorophenyl)-2-[(2E,5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618401
N-(4-fluorophenyl)-2-[(5R)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 136817665
N-(4-methylphenyl)-2-[(2Z)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135715134
N-(4-iodophenyl)-2-[(5S)-2-methylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691853
2-(azetidin-3-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 64617395
2-[(5S)-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 135836345
4-[[2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 135703936
2-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 53264892

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 170012627) is 2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=CN/N=C1\NC(=O)C(CC(=O)Nc2ccc(N3CCCC3)cc2)S1.
What is the InChIKey of 2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is PVEBOZDHRRCYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c22-10-17-20-16-19-15(24)13(25-16)9-14(23)18-11-3-5-12(6-4-11)21-7-1-2-8-21/h3-6,10,13H,1-2,7-9H2,(H,17,22)(H,18,23)(H,19,20,24).
What are the key properties of 2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 361.43 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(formylhydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 170012627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).