[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone

C16H22FN3O2S — CID 124687871

IUPAC[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)[C@@H]3CSCN3)CC2)cc1F
InChIInChI=1S/C16H22FN3O2S/c1-22-15-3-2-12(8-13(15)17)9-19-4-6-20(7-5-19)16(21)14-10-23-11-18-14/h2-3,8,14,18H,4-7,9-11H2,1H3/t14-/m0/s1
InChIKeyMVSZESZFZNHZCN-AWEZNQCLSA-N
MW339.44 g/mol
LogP1.14
Rot. Bonds4

About [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone

[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone (PubChem CID 124687871) has the molecular formula C16H22FN3O2S and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
PubChem CID124687871
Molecular FormulaC16H22FN3O2S
Molecular Weight339.44 g/mol
Exact Mass339.14
IUPAC Name[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone
SMILESCOc1ccc(CN2CCN(C(=O)[C@@H]3CSCN3)CC2)cc1F
InChIInChI=1S/C16H22FN3O2S/c1-22-15-3-2-12(8-13(15)17)9-19-4-6-20(7-5-19)16(21)14-10-23-11-18-14/h2-3,8,14,18H,4-7,9-11H2,1H3/t14-/m0/s1
InChIKeyMVSZESZFZNHZCN-AWEZNQCLSA-N
XLogP1.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone 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

cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119838929
2-(4-methoxy-3-methylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110814535
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110757203
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 124628305
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60937367
(2,6-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399351
(2,5-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 18115973
(2-fluoro-4-methoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 32966118
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51212932
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 56814595
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 51189808

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone (CID 124687871) is [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone is COc1ccc(CN2CCN(C(=O)[C@@H]3CSCN3)CC2)cc1F.
What is the InChIKey of [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone?
The InChIKey is MVSZESZFZNHZCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22FN3O2S/c1-22-15-3-2-12(8-13(15)17)9-19-4-6-20(7-5-19)16(21)14-10-23-11-18-14/h2-3,8,14,18H,4-7,9-11H2,1H3/t14-/m0/s1.
What are the key properties of [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone?
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(4R)-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 124687871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).