2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide

C18H20FN3OS — CID 45153977

IUPAC2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCN(C)c1ccc(C2SCCN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3OS/c1-21(2)16-9-3-13(4-10-16)17-22(11-12-24-17)18(23)20-15-7-5-14(19)6-8-15/h3-10,17H,11-12H2,1-2H3,(H,20,23)
InChIKeyPPYDRXXALLUIOH-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.17
Rot. Bonds3

About 2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide

2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 45153977) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID45153977
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC Name2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCN(C)c1ccc(C2SCCN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3OS/c1-21(2)16-9-3-13(4-10-16)17-22(11-12-24-17)18(23)20-15-7-5-14(19)6-8-15/h3-10,17H,11-12H2,1-2H3,(H,20,23)
InChIKeyPPYDRXXALLUIOH-UHFFFAOYSA-N
XLogP4.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[4-(dimethylamino)phenyl]-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 35527030
N-(3,4-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 4572857
N-(3,4-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3359543
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4572724
(2R)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283743
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7418716
N-(3-fluorophenyl)-2-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330402
N-butyl-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3359545
2-(4-bromophenyl)-N-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 122328956
(2S)-N-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028921
N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3300468
(2S)-N-(3,4-difluorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028933

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide (CID 45153977) is 2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is CN(C)c1ccc(C2SCCN2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is PPYDRXXALLUIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-21(2)16-9-3-13(4-10-16)17-22(11-12-24-17)18(23)20-15-7-5-14(19)6-8-15/h3-10,17H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide?
2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 45153977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).