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

C16H13Cl2FN2OS — CID 3359543

IUPACN-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C16H13Cl2FN2OS/c17-13-6-5-12(9-14(13)18)20-16(22)21-7-8-23-15(21)10-1-3-11(19)4-2-10/h1-6,9,15H,7-8H2,(H,20,22)
InChIKeyCPYBHOLVDLNOLF-UHFFFAOYSA-N
MW371.26 g/mol
LogP5.41
Rot. Bonds2

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

N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 3359543) has the molecular formula C16H13Cl2FN2OS and a molecular weight of 371.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID3359543
Molecular FormulaC16H13Cl2FN2OS
Molecular Weight371.26 g/mol
Exact Mass370.01
IUPAC NameN-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCSC1c1ccc(F)cc1
InChIInChI=1S/C16H13Cl2FN2OS/c17-13-6-5-12(9-14(13)18)20-16(22)21-7-8-23-15(21)10-1-3-11(19)4-2-10/h1-6,9,15H,7-8H2,(H,20,22)
InChIKeyCPYBHOLVDLNOLF-UHFFFAOYSA-N
XLogP5.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.26
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 4572857
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazolidine-3-carbothioamide
CID 4766744
(2R)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283743
2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 45153977
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
(2S)-2-(4-tert-butylphenyl)-N-(3-chloro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025225
2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122328956
N-(3-fluorophenyl)-2-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330402
(2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028933
(2S)-N-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7301691
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
N-(3,5-difluorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122345663

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 3359543) is N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCSC1c1ccc(F)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is CPYBHOLVDLNOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2OS/c17-13-6-5-12(9-14(13)18)20-16(22)21-7-8-23-15(21)10-1-3-11(19)4-2-10/h1-6,9,15H,7-8H2,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 371.26 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 3359543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).