N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

C22H24FN3O2S — CID 8715702

IUPACN-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCC(C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccccc1
InChIInChI=1S/C22H24FN3O2S/c1-15(2)12-13-26-21(28)19(29-22(26)24-16-8-4-3-5-9-16)14-20(27)25-18-11-7-6-10-17(18)23/h3-11,15,19H,12-14H2,1-2H3,(H,25,27)/b24-22-/t19-/m0/s1
InChIKeyDZMPWCOKAHGKFC-COPMAWBXSA-N
MW413.52 g/mol
LogP4.83
Rot. Bonds7

About N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 8715702) has the molecular formula C22H24FN3O2S and a molecular weight of 413.52 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID8715702
Molecular FormulaC22H24FN3O2S
Molecular Weight413.52 g/mol
Exact Mass413.16
IUPAC NameN-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCC(C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccccc1
InChIInChI=1S/C22H24FN3O2S/c1-15(2)12-13-26-21(28)19(29-22(26)24-16-8-4-3-5-9-16)14-20(27)25-18-11-7-6-10-17(18)23/h3-11,15,19H,12-14H2,1-2H3,(H,25,27)/b24-22-/t19-/m0/s1
InChIKeyDZMPWCOKAHGKFC-COPMAWBXSA-N
XLogP4.83
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.83
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-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715739
N-(2-fluorophenyl)-2-[(5S)-4-oxo-2-phenylimino-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 7974103
2-[(5S)-3-butyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 7973963
2-[(5R)-3-butyl-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 7973966
N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 4966398
2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 21368849
2-[(5S)-3-cyclopentyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 2372205
2-[(5R)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 8715830
N-(2,4-dichlorophenyl)-2-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 11836299
N-(2-fluorophenyl)-2-[(5R)-2-(4-methoxyphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 7974369
N-(2-fluorophenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 16555632
2-[3-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 4544454

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (CID 8715702) is N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is CC(C)CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1ccccc1.
What is the InChIKey of N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is DZMPWCOKAHGKFC-COPMAWBXSA-N. The full InChI is InChI=1S/C22H24FN3O2S/c1-15(2)12-13-26-21(28)19(29-22(26)24-16-8-4-3-5-9-16)14-20(27)25-18-11-7-6-10-17(18)23/h3-11,15,19H,12-14H2,1-2H3,(H,25,27)/b24-22-/t19-/m0/s1.
What are the key properties of N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(5S)-3-(3-methylbutyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 8715702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).