(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

C24H22FNO3S — CID 93115004

IUPAC(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc([C@@H]2SCCN2C(=O)c2ccc(F)cc2)cc1OCc1ccccc1
InChIInChI=1S/C24H22FNO3S/c1-28-21-12-9-19(15-22(21)29-16-17-5-3-2-4-6-17)24-26(13-14-30-24)23(27)18-7-10-20(25)11-8-18/h2-12,15,24H,13-14,16H2,1H3/t24-/m0/s1
InChIKeySZSHAUFFDSXBRD-DEOSSOPVSA-N
MW423.51 g/mol
LogP5.30
Rot. Bonds6

About (4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 93115004) has the molecular formula C24H22FNO3S and a molecular weight of 423.51 g/mol. Its IUPAC name is (4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID93115004
Molecular FormulaC24H22FNO3S
Molecular Weight423.51 g/mol
Exact Mass423.13
IUPAC Name(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc([C@@H]2SCCN2C(=O)c2ccc(F)cc2)cc1OCc1ccccc1
InChIInChI=1S/C24H22FNO3S/c1-28-21-12-9-19(15-22(21)29-16-17-5-3-2-4-6-17)24-26(13-14-30-24)23(27)18-7-10-20(25)11-8-18/h2-12,15,24H,13-14,16H2,1H3/t24-/m0/s1
InChIKeySZSHAUFFDSXBRD-DEOSSOPVSA-N
XLogP5.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781070
N-benzyl-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3596546
3-cyclopentyl-1-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 4191905
N-(3-ethylphenyl)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3433728
[4-(3-benzoyl-1,3-thiazolidin-2-yl)-2-methoxyphenyl] benzoate
CID 10409832
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(5-fluoro-3-pyridinyl)methanone
CID 122345781
[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-pentoxyphenyl)methanone
CID 122345724
(4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3402926
[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 93114995
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 7482279
N-(2-bromophenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077565
2-(3-methoxy-4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4536844

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 93115004) is (4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is COc1ccc([C@@H]2SCCN2C(=O)c2ccc(F)cc2)cc1OCc1ccccc1.
What is the InChIKey of (4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is SZSHAUFFDSXBRD-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22FNO3S/c1-28-21-12-9-19(15-22(21)29-16-17-5-3-2-4-6-17)24-26(13-14-30-24)23(27)18-7-10-20(25)11-8-18/h2-12,15,24H,13-14,16H2,1H3/t24-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 423.51 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 93115004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).