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

C24H23NO2S — CID 4568755

IUPAC(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCc1ccccc1C(=O)N1CCSC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO2S/c1-18-7-5-6-10-22(18)23(26)25-15-16-28-24(25)20-11-13-21(14-12-20)27-17-19-8-3-2-4-9-19/h2-14,24H,15-17H2,1H3
InChIKeyWCCSKMVDHCOKMS-UHFFFAOYSA-N
MW389.52 g/mol
LogP5.46
Rot. Bonds5

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

(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 4568755) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is (2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID4568755
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCc1ccccc1C(=O)N1CCSC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO2S/c1-18-7-5-6-10-22(18)23(26)25-15-16-28-24(25)20-11-13-21(14-12-20)27-17-19-8-3-2-4-9-19/h2-14,24H,15-17H2,1H3
InChIKeyWCCSKMVDHCOKMS-UHFFFAOYSA-N
XLogP5.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 93114995
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
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7283655
(2S)-2-ethyl-1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 93114988
(2,4-dimethoxyphenyl)-[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 42781070
N-(3-fluorophenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4170516
[2-(5-methylfuran-2-yl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 42781149
1-[(2R)-2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7262558
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 4062642
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7360453
(4-ethylphenyl)-[2-(3-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3402926

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 4568755) is (2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is Cc1ccccc1C(=O)N1CCSC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is WCCSKMVDHCOKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S/c1-18-7-5-6-10-22(18)23(26)25-15-16-28-24(25)20-11-13-21(14-12-20)27-17-19-8-3-2-4-9-19/h2-14,24H,15-17H2,1H3.
What are the key properties of (2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
(2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 389.52 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 4568755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).