2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide

C17H23N3O2S — CID 4657175

IUPAC2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide
SMILESCCCCN1C(=O)C(CC(=O)NCC)S/C1=N\c1ccccc1
InChIInChI=1S/C17H23N3O2S/c1-3-5-11-20-16(22)14(12-15(21)18-4-2)23-17(20)19-13-9-7-6-8-10-13/h6-10,14H,3-5,11-12H2,1-2H3,(H,18,21)/b19-17-
InChIKeyLZQCVUXHBSXQFM-ZPHPHTNESA-N
MW333.46 g/mol
LogP2.94
Rot. Bonds7

About 2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide

2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide (PubChem CID 4657175) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide
PubChem CID4657175
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide
SMILESCCCCN1C(=O)C(CC(=O)NCC)S/C1=N\c1ccccc1
InChIInChI=1S/C17H23N3O2S/c1-3-5-11-20-16(22)14(12-15(21)18-4-2)23-17(20)19-13-9-7-6-8-10-13/h6-10,14H,3-5,11-12H2,1-2H3,(H,18,21)/b19-17-
InChIKeyLZQCVUXHBSXQFM-ZPHPHTNESA-N
XLogP2.94
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)-N-phenylacetamide
CID 661432
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
2-Anilino-5-isopropyl-thiazol-4-one
CID 135425127
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 647039
1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 2840626
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2998505
N-Ethyl-2-(3-ethyl-4-oxo-2-p-tolylimino-thiazolidin-5-yl)-acetamide
CID 3136237
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155569
(2Z)-N-ethyl-4-oxo-2-(phenylimino)-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
CID 3415787
N-(2-fluorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3441571
2-{2-[(4-chlorophenyl)imino]-3-ethyl-4-oxo-1,3-thiazolidin-5-yl}-N-ethylacetamide
CID 3972953
(2Z)-N-methyl-4-oxo-2-(phenylimino)-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
CID 4616984

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide?
The IUPAC name of 2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide (CID 4657175) is 2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide?
The canonical SMILES for 2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide is CCCCN1C(=O)C(CC(=O)NCC)S/C1=N\c1ccccc1.
What is the InChIKey of 2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide?
The InChIKey is LZQCVUXHBSXQFM-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-5-11-20-16(22)14(12-15(21)18-4-2)23-17(20)19-13-9-7-6-8-10-13/h6-10,14H,3-5,11-12H2,1-2H3,(H,18,21)/b19-17-.
What are the key properties of 2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide?
2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide has a molecular weight of 333.46 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-ethylacetamide is sourced from PubChem (CID 4657175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).