2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one

C18H18ClFN2OS — CID 4521493

IUPAC2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C2SCC(=O)N2Cc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2OS/c1-21(2)14-6-7-15(16(19)9-14)18-22(17(23)11-24-18)10-12-4-3-5-13(20)8-12/h3-9,18H,10-11H2,1-2H3
InChIKeyMCCYFCQAISFSOR-UHFFFAOYSA-N
MW364.87 g/mol
LogP4.32
Rot. Bonds4

About 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one

2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 4521493) has the molecular formula C18H18ClFN2OS and a molecular weight of 364.87 g/mol. Its IUPAC name is 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID4521493
Molecular FormulaC18H18ClFN2OS
Molecular Weight364.87 g/mol
Exact Mass364.08
IUPAC Name2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C2SCC(=O)N2Cc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2OS/c1-21(2)14-6-7-15(16(19)9-14)18-22(17(23)11-24-18)10-12-4-3-5-13(20)8-12/h3-9,18H,10-11H2,1-2H3
InChIKeyMCCYFCQAISFSOR-UHFFFAOYSA-N
XLogP4.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 54.32
H-Bond Donors ≤ 50
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

2-[2-chloro-4-(dimethylamino)phenyl]-3-[(2,5-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3671325
3-[(3-fluorophenyl)methyl]-2-(2,3,4-trifluorophenyl)-1,3-thiazolidin-4-one
CID 3858526
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-chloro-4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
CID 23826766
2-(2,4-dimethoxyphenyl)-3-[[4-(dimethylamino)phenyl]methyl]-1,3-thiazolidin-4-one
CID 3594994
3-[[4-(dimethylamino)phenyl]methyl]-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
CID 3684457
2-[2-chloro-4-(dimethylamino)phenyl]-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one
CID 3822103
3-[[4-(dimethylamino)phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3860254
3-[(4-fluorophenyl)methyl]-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3387425
3-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenyl)-1,3-thiazolidin-4-one
CID 3862621
3-[[4-(dimethylamino)phenyl]methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 3836068
3-[[4-(dimethylamino)phenyl]methyl]-2-(4,5-dimethylfuran-2-yl)-1,3-thiazolidin-4-one
CID 5003539
2-(2-fluorophenyl)-3-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 22332064

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one (CID 4521493) is 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one is CN(C)c1ccc(C2SCC(=O)N2Cc2cccc(F)c2)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is MCCYFCQAISFSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2OS/c1-21(2)14-6-7-15(16(19)9-14)18-22(17(23)11-24-18)10-12-4-3-5-13(20)8-12/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one?
2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 364.87 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(dimethylamino)phenyl]-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4521493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).