2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide

C20H28FN3OS — CID 67346260

IUPAC2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2CS/C(=N\C3CCCCCC3)N2C)c(F)c1
InChIInChI=1S/C20H28FN3OS/c1-14-9-10-18(17(21)11-14)23-19(25)12-16-13-26-20(24(16)2)22-15-7-5-3-4-6-8-15/h9-11,15-16H,3-8,12-13H2,1-2H3,(H,23,25)/b22-20-
InChIKeyXSLFUVBAWBEWHM-XDOYNYLZSA-N
MW377.53 g/mol
LogP4.59
Rot. Bonds4

About 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide

2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 67346260) has the molecular formula C20H28FN3OS and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID67346260
Molecular FormulaC20H28FN3OS
Molecular Weight377.53 g/mol
Exact Mass377.19
IUPAC Name2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2CS/C(=N\C3CCCCCC3)N2C)c(F)c1
InChIInChI=1S/C20H28FN3OS/c1-14-9-10-18(17(21)11-14)23-19(25)12-16-13-26-20(24(16)2)22-15-7-5-3-4-6-8-15/h9-11,15-16H,3-8,12-13H2,1-2H3,(H,23,25)/b22-20-
InChIKeyXSLFUVBAWBEWHM-XDOYNYLZSA-N
XLogP4.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.59
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

N-(3-{2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazol-6-yl}phenyl)-2-methylpropanamide
CID 166572
N-(4-methylphenyl)-2-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-yl)acetamide
CID 651069
N-(2,4-dimethylphenyl)-2-(3-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)acetamide
CID 2981149
N-(4-ethylphenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4462576
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
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 654546
1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 2840626
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2939431
N-Ethyl-2-(3-ethyl-4-oxo-2-p-tolylimino-thiazolidin-5-yl)-acetamide
CID 3136237
1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (4,5-dihydro-thiazol-2-yl)-amide
CID 3155569

Frequently Asked Questions

What is the IUPAC name of 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide (CID 67346260) is 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2CS/C(=N\C3CCCCCC3)N2C)c(F)c1.
What is the InChIKey of 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is XSLFUVBAWBEWHM-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H28FN3OS/c1-14-9-10-18(17(21)11-14)23-19(25)12-16-13-26-20(24(16)2)22-15-7-5-3-4-6-8-15/h9-11,15-16H,3-8,12-13H2,1-2H3,(H,23,25)/b22-20-.
What are the key properties of 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 377.53 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 67346260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).