1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone

C22H27NO2S — CID 42781042

IUPAC1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone
SMILESCC(C)(C)c1ccc(C2SCCN2C(=O)COCc2ccccc2)cc1
InChIInChI=1S/C22H27NO2S/c1-22(2,3)19-11-9-18(10-12-19)21-23(13-14-26-21)20(24)16-25-15-17-7-5-4-6-8-17/h4-12,21H,13-16H2,1-3H3
InChIKeyNJVGGKPZJQYVMP-UHFFFAOYSA-N
MW369.53 g/mol
LogP4.77
Rot. Bonds5

About 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone

1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone (PubChem CID 42781042) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone
PubChem CID42781042
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone
SMILESCC(C)(C)c1ccc(C2SCCN2C(=O)COCc2ccccc2)cc1
InChIInChI=1S/C22H27NO2S/c1-22(2,3)19-11-9-18(10-12-19)21-23(13-14-26-21)20(24)16-25-15-17-7-5-4-6-8-17/h4-12,21H,13-16H2,1-3H3
InChIKeyNJVGGKPZJQYVMP-UHFFFAOYSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylmethoxy-1-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 7288367
1-[(2R)-2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7415161
2-phenyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]ethanone
CID 3627515
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4076126
1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263285
1-[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7263286
(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025251
3-phenyl-1-[(2R)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]propan-1-one
CID 815330
(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025222
3,3-dimethyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 4113607
3,3,3-trifluoro-1-(2-phenyl-1,3-thiazolidin-3-yl)propan-1-one
CID 122329235
(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4568755

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone (CID 42781042) is 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone is CC(C)(C)c1ccc(C2SCCN2C(=O)COCc2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone?
The InChIKey is NJVGGKPZJQYVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2S/c1-22(2,3)19-11-9-18(10-12-19)21-23(13-14-26-21)20(24)16-25-15-17-7-5-4-6-8-17/h4-12,21H,13-16H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone?
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone has a molecular weight of 369.53 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 42781042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).