N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide

C18H19FN2OS — CID 4572856

IUPACN-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCSC2c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H19FN2OS/c1-12-3-8-16(13(2)11-12)20-18(22)21-9-10-23-17(21)14-4-6-15(19)7-5-14/h3-8,11,17H,9-10H2,1-2H3,(H,20,22)
InChIKeyBEAIAPDKJJZHJA-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.72
Rot. Bonds2

About N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide

N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 4572856) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID4572856
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCSC2c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H19FN2OS/c1-12-3-8-16(13(2)11-12)20-18(22)21-9-10-23-17(21)14-4-6-15(19)7-5-14/h3-8,11,17H,9-10H2,1-2H3,(H,20,22)
InChIKeyBEAIAPDKJJZHJA-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-3-(2,4-xylyl)urea
CID 4612352
N-butyl-N'-[4-(1,3-dithiolan-2-yl)phenyl]urea
CID 2819085
N-{4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl}acetamide
CID 3236432
1-[4-[(Z)-2-(3,5-dimethylphenyl)ethenyl]phenyl]imidazolidin-2-one
CID 122181274
N-[3-(butylthio)propyl]-N'-(4-ethylphenyl)urea
CID 3301209
1,1-Dibutyl-3-(2,4-dimethylphenyl)urea
CID 4426380
1-(4-Butyl-2-methylphenyl)-3-(4-pyrrolidin-3-ylphenyl)urea
CID 53250149
US10807988, Example SC_3291
CID 130201012
US10807988, Example SC_3290
CID 130201534
1-{2-Methyl-4-[(phenylsulfanyl)methyl]phenyl}-3-phenylurea
CID 1121347
N-{2-[(3-methylbenzyl)thio]ethyl}-N'-phenylurea
CID 2286331
1-Phenyl-3-[2-[(2,4,6-trimethylphenyl)methylsulfanyl]ethyl]urea
CID 2741949

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 4572856) is N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is Cc1ccc(NC(=O)N2CCSC2c2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is BEAIAPDKJJZHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-12-3-8-16(13(2)11-12)20-18(22)21-9-10-23-17(21)14-4-6-15(19)7-5-14/h3-8,11,17H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4572856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).