N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C20H23F2N3O2S — CID 146088339

IUPACN-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2F)N(CCC2(F)CCC2)C1=O)NC1CC1
InChIInChI=1S/C20H23F2N3O2S/c21-14-4-1-2-5-15(14)24-19-25(11-10-20(22)8-3-9-20)18(27)16(28-19)12-17(26)23-13-6-7-13/h1-2,4-5,13,16H,3,6-12H2,(H,23,26)/b24-19-
InChIKeyRENARAYOXLWFAG-CLCOLTQESA-N
MW407.49 g/mol
LogP3.71
Rot. Bonds7

About N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 146088339) has the molecular formula C20H23F2N3O2S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID146088339
Molecular FormulaC20H23F2N3O2S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC NameN-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2F)N(CCC2(F)CCC2)C1=O)NC1CC1
InChIInChI=1S/C20H23F2N3O2S/c21-14-4-1-2-5-15(14)24-19-25(11-10-20(22)8-3-9-20)18(27)16(28-19)12-17(26)23-13-6-7-13/h1-2,4-5,13,16H,3,6-12H2,(H,23,26)/b24-19-
InChIKeyRENARAYOXLWFAG-CLCOLTQESA-N
XLogP3.71
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.71
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

N-(3,5-dimethylphenyl)-2-[3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 21368763
N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 1203904
N-(5-chloro-2-methylphenyl)-2-[(5R)-3-ethyl-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 9498884
N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135795117
N-(2-bromophenyl)-2-[2-(2-fluorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 3999051
2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 21368928
N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 8715702
N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 21368929
N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 18824511
N-naphthalen-2-yl-2-[(5S)-4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl]acetamide
CID 7974054
2-[(5R)-2-(2-methylphenyl)imino-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 7796868
N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 42993895

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 146088339) is N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\c2ccccc2F)N(CCC2(F)CCC2)C1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is RENARAYOXLWFAG-CLCOLTQESA-N. The full InChI is InChI=1S/C20H23F2N3O2S/c21-14-4-1-2-5-15(14)24-19-25(11-10-20(22)8-3-9-20)18(27)16(28-19)12-17(26)23-13-6-7-13/h1-2,4-5,13,16H,3,6-12H2,(H,23,26)/b24-19-.
What are the key properties of N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 407.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[2-(1-fluorocyclobutyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 146088339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).