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

C17H16ClFN2OS — CID 4068333

IUPACN-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCSC2c2cccc(F)c2)cc1Cl
InChIInChI=1S/C17H16ClFN2OS/c1-11-5-6-14(10-15(11)18)20-17(22)21-7-8-23-16(21)12-3-2-4-13(19)9-12/h2-6,9-10,16H,7-8H2,1H3,(H,20,22)
InChIKeyIZCBTJHEQCCZDL-UHFFFAOYSA-N
MW350.85 g/mol
LogP5.07
Rot. Bonds2

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

N-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 4068333) has the molecular formula C17H16ClFN2OS and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID4068333
Molecular FormulaC17H16ClFN2OS
Molecular Weight350.85 g/mol
Exact Mass350.07
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCSC2c2cccc(F)c2)cc1Cl
InChIInChI=1S/C17H16ClFN2OS/c1-11-5-6-14(10-15(11)18)20-17(22)21-7-8-23-16(21)12-3-2-4-13(19)9-12/h2-6,9-10,16H,7-8H2,1H3,(H,20,22)
InChIKeyIZCBTJHEQCCZDL-UHFFFAOYSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 4068333) is N-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide is Cc1ccc(NC(=O)N2CCSC2c2cccc(F)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is IZCBTJHEQCCZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2OS/c1-11-5-6-14(10-15(11)18)20-17(22)21-7-8-23-16(21)12-3-2-4-13(19)9-12/h2-6,9-10,16H,7-8H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4068333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).