N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide

C19H26FN3OS — CID 67351269

IUPACN-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N(c1cccc(F)c1)C1C(C)S/C(=N\C2CCCCC2)N1C
InChIInChI=1S/C19H26FN3OS/c1-13-18(23(14(2)24)17-11-7-8-15(20)12-17)22(3)19(25-13)21-16-9-5-4-6-10-16/h7-8,11-13,16,18H,4-6,9-10H2,1-3H3/b21-19-
InChIKeyLVKHVAVJWHIZAD-VZCXRCSSSA-N
MW363.50 g/mol
LogP4.26
Rot. Bonds3

About N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide

N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 67351269) has the molecular formula C19H26FN3OS and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide
PubChem CID67351269
Molecular FormulaC19H26FN3OS
Molecular Weight363.50 g/mol
Exact Mass363.18
IUPAC NameN-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N(c1cccc(F)c1)C1C(C)S/C(=N\C2CCCCC2)N1C
InChIInChI=1S/C19H26FN3OS/c1-13-18(23(14(2)24)17-11-7-8-15(20)12-17)22(3)19(25-13)21-16-9-5-4-6-10-16/h7-8,11-13,16,18H,4-6,9-10H2,1-3H3/b21-19-
InChIKeyLVKHVAVJWHIZAD-VZCXRCSSSA-N
XLogP4.26
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N-(2-fluoro-phenyl)-acetamide
CID 646627
3-[4-(Dimethylamino)phenyl]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 2315873
N-(2,4-difluorophenyl)-N'-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 2970179
N-cyclohexyl-N-methyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 2999647
2-{[1-(2-fluorophenyl)-4-hydroxy-6-oxo-1,6-dihydro-2-pyrimidinyl]thio}-N-methyl-N-phenylacetamide
CID 135402173
N-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(2-fluorophenyl)-N'-phenylurea
CID 2817615
3-Phenyl-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
CID 570559
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N,N-dicyclohexylacetamide
CID 1258290
3-(2-Fluorophenyl)-2-((2-fluorophenyl)imino)-1,3-thiazolidin-4-one
CID 331170
2-(6-Amino-4-oxo-1-phenyl-1,4-dihydro-pyrimidin-2-ylsulfanyl)-N-cyclohexyl-acetamide
CID 650346
N-(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-N-(4-fluoro-phenyl)-acetamide
CID 645966
1-(4-Fluorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylurea
CID 2817471

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide (CID 67351269) is N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide is CC(=O)N(c1cccc(F)c1)C1C(C)S/C(=N\C2CCCCC2)N1C.
What is the InChIKey of N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is LVKHVAVJWHIZAD-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H26FN3OS/c1-13-18(23(14(2)24)17-11-7-8-15(20)12-17)22(3)19(25-13)21-16-9-5-4-6-10-16/h7-8,11-13,16,18H,4-6,9-10H2,1-3H3/b21-19-.
What are the key properties of N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide?
N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 363.50 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 67351269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).