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

C16H13ClF2N2OS — CID 4147868

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C16H13ClF2N2OS/c17-13-9-12(5-6-14(13)19)20-16(22)21-7-8-23-15(21)10-1-3-11(18)4-2-10/h1-6,9,15H,7-8H2,(H,20,22)
InChIKeyUOXAPGLAFHCJLS-UHFFFAOYSA-N
MW354.81 g/mol
LogP4.90
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 4147868) has the molecular formula C16H13ClF2N2OS and a molecular weight of 354.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID4147868
Molecular FormulaC16H13ClF2N2OS
Molecular Weight354.81 g/mol
Exact Mass354.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C16H13ClF2N2OS/c17-13-9-12(5-6-14(13)19)20-16(22)21-7-8-23-15(21)10-1-3-11(18)4-2-10/h1-6,9,15H,7-8H2,(H,20,22)
InChIKeyUOXAPGLAFHCJLS-UHFFFAOYSA-N
XLogP4.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 54.90
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-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 4147868) is N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCSC1c1ccc(F)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is UOXAPGLAFHCJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2OS/c17-13-9-12(5-6-14(13)19)20-16(22)21-7-8-23-15(21)10-1-3-11(18)4-2-10/h1-6,9,15H,7-8H2,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 354.81 g/mol, XLogP of 4.90, 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-fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4147868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).