(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone

C20H23NO2S — CID 4047781

IUPAC(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCSC2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H23NO2S/c1-14(2)15-4-6-17(7-5-15)20-21(12-13-24-20)19(22)16-8-10-18(23-3)11-9-16/h4-11,14,20H,12-13H2,1-3H3
InChIKeyKXLDEFMLMQKPHJ-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.71
Rot. Bonds4

About (4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone

(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 4047781) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID4047781
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCSC2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H23NO2S/c1-14(2)15-4-6-17(7-5-15)20-21(12-13-24-20)19(22)16-8-10-18(23-3)11-9-16/h4-11,14,20H,12-13H2,1-3H3
InChIKeyKXLDEFMLMQKPHJ-UHFFFAOYSA-N
XLogP4.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone
CID 100713336
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122331421
[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 42781134
2,2-dichloro-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 816075
[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 1024614
[2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone
CID 3257752
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122331438
2-[1-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 122331424
(2S)-2-chloro-2-phenyl-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 1024855
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7225995
(3-methoxyphenyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024075

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone (CID 4047781) is (4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone is COc1ccc(C(=O)N2CCSC2c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is KXLDEFMLMQKPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-14(2)15-4-6-17(7-5-15)20-21(12-13-24-20)19(22)16-8-10-18(23-3)11-9-16/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of (4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone?
(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 341.48 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 4047781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).