2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide

C20H27F2N3OS — CID 67346323

IUPAC2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide
SMILESCC1S/C(=N\C2CCCCC2)N(C)C1CC(=O)Nc1cccc(C(F)F)c1
InChIInChI=1S/C20H27F2N3OS/c1-13-17(25(2)20(27-13)24-15-8-4-3-5-9-15)12-18(26)23-16-10-6-7-14(11-16)19(21)22/h6-7,10-11,13,15,17,19H,3-5,8-9,12H2,1-2H3,(H,23,26)/b24-20-
InChIKeyXLYQYUHDZDTJFL-GFMRDNFCSA-N
MW395.52 g/mol
LogP5.08
Rot. Bonds5

About 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide

2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide (PubChem CID 67346323) has the molecular formula C20H27F2N3OS and a molecular weight of 395.52 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide
PubChem CID67346323
Molecular FormulaC20H27F2N3OS
Molecular Weight395.52 g/mol
Exact Mass395.18
IUPAC Name2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide
SMILESCC1S/C(=N\C2CCCCC2)N(C)C1CC(=O)Nc1cccc(C(F)F)c1
InChIInChI=1S/C20H27F2N3OS/c1-13-17(25(2)20(27-13)24-15-8-4-3-5-9-15)12-18(26)23-16-10-6-7-14(11-16)19(21)22/h6-7,10-11,13,15,17,19H,3-5,8-9,12H2,1-2H3,(H,23,26)/b24-20-
InChIKeyXLYQYUHDZDTJFL-GFMRDNFCSA-N
XLogP5.08
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.08
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

5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-
CID 4123591
N-(3-{2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-methylpropanamide
CID 166572
1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl N'-phenylimidothiocarbamate
CID 2833590
2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide hydrochloride
CID 16194782
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-(2-methylphenyl)acetamide
CID 135403876
Butamisole
CID 76964745
Butamisole Hydrochloride
CID 76964744
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 654546
2-(2,5-Dioxo-1-m-tolyl-pyrrolidin-3-yl)-1,3-diphenyl-isothiourea
CID 2833596
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2939431
3-Ethyl-2-ethylimino-4-oxo-[1,3]thiazinane-6-carboxylic acid m-tolylamide
CID 3139558

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide (CID 67346323) is 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide is CC1S/C(=N\C2CCCCC2)N(C)C1CC(=O)Nc1cccc(C(F)F)c1.
What is the InChIKey of 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide?
The InChIKey is XLYQYUHDZDTJFL-GFMRDNFCSA-N. The full InChI is InChI=1S/C20H27F2N3OS/c1-13-17(25(2)20(27-13)24-15-8-4-3-5-9-15)12-18(26)23-16-10-6-7-14(11-16)19(21)22/h6-7,10-11,13,15,17,19H,3-5,8-9,12H2,1-2H3,(H,23,26)/b24-20-.
What are the key properties of 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide?
2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide has a molecular weight of 395.52 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-[3-(difluoromethyl)phenyl]acetamide is sourced from PubChem (CID 67346323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).