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

C16H13F3N2OS — CID 4572857

IUPACN-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C16H13F3N2OS/c17-11-3-1-10(2-4-11)15-21(7-8-23-15)16(22)20-12-5-6-13(18)14(19)9-12/h1-6,9,15H,7-8H2,(H,20,22)
InChIKeyQJLDLHIAYCABEG-UHFFFAOYSA-N
MW338.35 g/mol
LogP4.38
Rot. Bonds2

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

N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 4572857) has the molecular formula C16H13F3N2OS and a molecular weight of 338.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID4572857
Molecular FormulaC16H13F3N2OS
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC NameN-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C16H13F3N2OS/c17-11-3-1-10(2-4-11)15-21(7-8-23-15)16(22)20-12-5-6-13(18)14(19)9-12/h1-6,9,15H,7-8H2,(H,20,22)
InChIKeyQJLDLHIAYCABEG-UHFFFAOYSA-N
XLogP4.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028933
N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3359543
2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 45153977
(2R)-N-(3,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
CID 816275
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
N-(3-fluorophenyl)-2-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330402
2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122328956
N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4047301
(2R)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283743
(2S)-2-(4-tert-butylphenyl)-N-(3-chloro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025225
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7418716
N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4170516

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 4572857) is N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)N1CCSC1c1ccc(F)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is QJLDLHIAYCABEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS/c17-11-3-1-10(2-4-11)15-21(7-8-23-15)16(22)20-12-5-6-13(18)14(19)9-12/h1-6,9,15H,7-8H2,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 338.35 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4572857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).