2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide

C21H30FN3OS — CID 67346168

IUPAC2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide
SMILESCCCCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H30FN3OS/c1-2-3-13-25-19(14-20(26)23-18-11-9-16(22)10-12-18)15-27-21(25)24-17-7-5-4-6-8-17/h9-12,17,19H,2-8,13-15H2,1H3,(H,23,26)/b24-21-
InChIKeyMHVIHKQQSYPPGP-FLFQWRMESA-N
MW391.56 g/mol
LogP5.06
Rot. Bonds7

About 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide

2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 67346168) has the molecular formula C21H30FN3OS and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide
PubChem CID67346168
Molecular FormulaC21H30FN3OS
Molecular Weight391.56 g/mol
Exact Mass391.21
IUPAC Name2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide
SMILESCCCCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H30FN3OS/c1-2-3-13-25-19(14-20(26)23-18-11-9-16(22)10-12-18)15-27-21(25)24-17-7-5-4-6-8-17/h9-12,17,19H,2-8,13-15H2,1H3,(H,23,26)/b24-21-
InChIKeyMHVIHKQQSYPPGP-FLFQWRMESA-N
XLogP5.06
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(cyclohexylamino)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135401378
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135403876
N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N-(2-fluoro-phenyl)-acetamide
CID 646627
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
1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (4,5-dihydro-thiazol-2-yl)-amide
CID 3155569
2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 3236056
2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-fluorophenyl)acetamide
CID 3239552
N-(2,4-difluorophenyl)-2-((3,6-dimethyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3242574

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide (CID 67346168) is 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide is CCCCN1/C(=N/C2CCCCC2)SCC1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is MHVIHKQQSYPPGP-FLFQWRMESA-N. The full InChI is InChI=1S/C21H30FN3OS/c1-2-3-13-25-19(14-20(26)23-18-11-9-16(22)10-12-18)15-27-21(25)24-17-7-5-4-6-8-17/h9-12,17,19H,2-8,13-15H2,1H3,(H,23,26)/b24-21-.
What are the key properties of 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide?
2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 391.56 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 67346168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).