(4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

C25H25NO2S — CID 3402926

IUPAC(4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCCc1ccc(C(=O)N2CCSC2c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C25H25NO2S/c1-2-19-11-13-21(14-12-19)24(27)26-15-16-29-25(26)22-9-6-10-23(17-22)28-18-20-7-4-3-5-8-20/h3-14,17,25H,2,15-16,18H2,1H3
InChIKeyRCRAFWQEXMSJFN-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.72
Rot. Bonds6

About (4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone

(4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 3402926) has the molecular formula C25H25NO2S and a molecular weight of 403.55 g/mol. Its IUPAC name is (4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID3402926
Molecular FormulaC25H25NO2S
Molecular Weight403.55 g/mol
Exact Mass403.16
IUPAC Name(4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCCc1ccc(C(=O)N2CCSC2c2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C25H25NO2S/c1-2-19-11-13-21(14-12-19)24(27)26-15-16-29-25(26)22-9-6-10-23(17-22)28-18-20-7-4-3-5-8-20/h3-14,17,25H,2,15-16,18H2,1H3
InChIKeyRCRAFWQEXMSJFN-UHFFFAOYSA-N
XLogP5.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7262558
1,3-benzodioxol-5-yl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7396899
cyclopropyl-[(2S)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7301681
[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 93114995
N-(3,4-difluorophenyl)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4047301
(4-fluorophenyl)-[(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 93115004
(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4568755
(4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7419009
1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263286
1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263285
3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3266105
(4-ethylphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330609

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 3402926) is (4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is CCc1ccc(C(=O)N2CCSC2c2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of (4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is RCRAFWQEXMSJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2S/c1-2-19-11-13-21(14-12-19)24(27)26-15-16-29-25(26)22-9-6-10-23(17-22)28-18-20-7-4-3-5-8-20/h3-14,17,25H,2,15-16,18H2,1H3.
What are the key properties of (4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
(4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 403.55 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 3402926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).