N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide

C17H14Cl2FN3OS — CID 138319699

IUPACN-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(F)cc2)S1
InChIInChI=1S/C17H14Cl2FN3OS/c1-10-9-23(16(24)21-13-6-7-14(18)15(19)8-13)17(25-10)22-12-4-2-11(20)3-5-12/h2-8,10H,9H2,1H3,(H,21,24)/b22-17-
InChIKeySHKNIJKASRGSEG-XLNRJJMWSA-N
MW398.29 g/mol
LogP5.79
Rot. Bonds2

About N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide

N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide (PubChem CID 138319699) has the molecular formula C17H14Cl2FN3OS and a molecular weight of 398.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide
PubChem CID138319699
Molecular FormulaC17H14Cl2FN3OS
Molecular Weight398.29 g/mol
Exact Mass397.02
IUPAC NameN-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide
SMILESCC1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(F)cc2)S1
InChIInChI=1S/C17H14Cl2FN3OS/c1-10-9-23(16(24)21-13-6-7-14(18)15(19)8-13)17(25-10)22-12-4-2-11(20)3-5-12/h2-8,10H,9H2,1H3,(H,21,24)/b22-17-
InChIKeySHKNIJKASRGSEG-XLNRJJMWSA-N
XLogP5.79
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.29
LogP ≤ 55.79
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

(2E)-2-(benzylimino)-N-(4-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 917438
1-(3-Chlorophenyl)-3-(3-methylthiazolidin-2-ylidene)urea
CID 44408212
N-(5,5-dimethyl(1,3-thiazolin-2-yl))-N-(3-chloro-4-fluorophenyl)(methylamino)c arboxamide
CID 2817610
3-(3,4-dichlorophenyl)-1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-phenylurea
CID 2817613
3-(4-Chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea
CID 2729366
3-(3,4-Dichlorophenyl)-1-methyl-1-(5-methyl-2-thiazolin-2-yl)urea
CID 383612
3-(3,4-Dichlorophenyl)-1-(5-methyl-2-thiazolin-2-yl)-1-phenylurea
CID 383613
3-(3,4-Dichlorophenyl)-1-(5-methyl-2-thiazolin-2-yl)-1-(m-tolyl)urea
CID 383614
1-(3-Chloro-4-fluorophenyl)-3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 2817945
N-(3,4-dichlorophenyl)-2-(dimethylamino)-4-oxo-6,7-dihydroimidazo[1,2-a][1,3,5]triazine-8-carboxamide
CID 27378821
2-[2-(3-chloro-4-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-chlorophenyl)acetamide
CID 44453062
N-(3,4-dichlorophenyl)-2-(3-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide
CID 171354279

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide (CID 138319699) is N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide is CC1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2ccc(F)cc2)S1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide?
The InChIKey is SHKNIJKASRGSEG-XLNRJJMWSA-N. The full InChI is InChI=1S/C17H14Cl2FN3OS/c1-10-9-23(16(24)21-13-6-7-14(18)15(19)8-13)17(25-10)22-12-4-2-11(20)3-5-12/h2-8,10H,9H2,1H3,(H,21,24)/b22-17-.
What are the key properties of N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide?
N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide has a molecular weight of 398.29 g/mol, XLogP of 5.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)imino-5-methyl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 138319699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).