[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone

C24H31NO3S — CID 4160929

IUPAC[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
SMILESCCCCCCc1ccc(C(=O)N2CCSC2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C24H31NO3S/c1-4-5-6-7-8-18-9-11-19(12-10-18)23(26)25-15-16-29-24(25)21-14-13-20(27-2)17-22(21)28-3/h9-14,17,24H,4-8,15-16H2,1-3H3
InChIKeyOQAJUVGDFSVXNL-UHFFFAOYSA-N
MW413.58 g/mol
LogP5.71
Rot. Bonds9

About [2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone

[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone (PubChem CID 4160929) has the molecular formula C24H31NO3S and a molecular weight of 413.58 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
PubChem CID4160929
Molecular FormulaC24H31NO3S
Molecular Weight413.58 g/mol
Exact Mass413.20
IUPAC Name[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
SMILESCCCCCCc1ccc(C(=O)N2CCSC2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C24H31NO3S/c1-4-5-6-7-8-18-9-11-19(12-10-18)23(26)25-15-16-29-24(25)21-14-13-20(27-2)17-22(21)28-3/h9-14,17,24H,4-8,15-16H2,1-3H3
InChIKeyOQAJUVGDFSVXNL-UHFFFAOYSA-N
XLogP5.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.58
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]pentan-1-one
CID 7361597
[2-(2,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-ethylphenyl)methanone
CID 3343398
(4-butoxyphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330603
1-[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-(4-methoxyphenyl)ethanone
CID 7361600
(3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7482183
(3,5-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7256737
[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
CID 7350573
(4-ethylphenyl)-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 122330609
(2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7249096
1-[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 4567893
[(2R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxyphenyl)methanone
CID 7289014
(4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 7360731

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone (CID 4160929) is [2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone is CCCCCCc1ccc(C(=O)N2CCSC2c2ccc(OC)cc2OC)cc1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone?
The InChIKey is OQAJUVGDFSVXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3S/c1-4-5-6-7-8-18-9-11-19(12-10-18)23(26)25-15-16-29-24(25)21-14-13-20(27-2)17-22(21)28-3/h9-14,17,24H,4-8,15-16H2,1-3H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone?
[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone has a molecular weight of 413.58 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone is sourced from PubChem (CID 4160929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).