3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile

C20H20FN3OS — CID 7337396

IUPAC3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile
SMILESCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(C#N)c1
InChIInChI=1S/C20H20FN3OS/c1-23(13-16-4-2-3-15(11-16)12-22)14-19(25)24-9-10-26-20(24)17-5-7-18(21)8-6-17/h2-8,11,20H,9-10,13-14H2,1H3/t20-/m1/s1
InChIKeyLHZNWYQQZIJPGC-HXUWFJFHSA-N
MW369.47 g/mol
LogP3.40
Rot. Bonds5

About 3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile

3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile (PubChem CID 7337396) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile
PubChem CID7337396
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile
SMILESCN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(C#N)c1
InChIInChI=1S/C20H20FN3OS/c1-23(13-16-4-2-3-15(11-16)12-22)14-19(25)24-9-10-26-20(24)17-5-7-18(21)8-6-17/h2-8,11,20H,9-10,13-14H2,1H3/t20-/m1/s1
InChIKeyLHZNWYQQZIJPGC-HXUWFJFHSA-N
XLogP3.40
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 7337394
2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7431752
methyl 2-[[2-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]propanoate
CID 42796946
3-[[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983081
2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide
CID 63585387
2-[[2-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-propan-2-ylamino]-N,N-bis(prop-2-enyl)acetamide
CID 7396428
1-[2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]octan-1-one
CID 4163378
3-[[(3-cyanophenyl)methyl-methylamino]methyl]benzoic acid
CID 62970028
benzyl 2-[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-(3-methoxypropyl)amino]acetate
CID 93116698
(E)-4-[(3-cyanophenyl)methyl-methylamino]-3-methylbut-2-enoic acid
CID 55237302
3-[[[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-methylamino]methyl]benzonitrile
CID 62983079
2-[(3-cyanophenyl)methyl-methylamino]-N-(oxan-4-yl)acetamide
CID 63099208

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile (CID 7337396) is 3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile is CN(CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cccc(C#N)c1.
What is the InChIKey of 3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile?
The InChIKey is LHZNWYQQZIJPGC-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-23(13-16-4-2-3-15(11-16)12-22)14-19(25)24-9-10-26-20(24)17-5-7-18(21)8-6-17/h2-8,11,20H,9-10,13-14H2,1H3/t20-/m1/s1.
What are the key properties of 3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile?
3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile has a molecular weight of 369.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-methylamino]methyl]benzonitrile is sourced from PubChem (CID 7337396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).