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

C21H19NO2S2 — CID 122331421

IUPAC[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C21H19NO2S2/c1-24-18-10-8-17(9-11-18)21-22(12-14-26-21)20(23)16-6-4-15(5-7-16)19-3-2-13-25-19/h2-11,13,21H,12,14H2,1H3
InChIKeyIMOJJDYLZYYKKH-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.31
Rot. Bonds4

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

[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone (PubChem CID 122331421) has the molecular formula C21H19NO2S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
PubChem CID122331421
Molecular FormulaC21H19NO2S2
Molecular Weight381.52 g/mol
Exact Mass381.09
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C21H19NO2S2/c1-24-18-10-8-17(9-11-18)21-22(12-14-26-21)20(23)16-6-4-15(5-7-16)19-3-2-13-25-19/h2-11,13,21H,12,14H2,1H3
InChIKeyIMOJJDYLZYYKKH-UHFFFAOYSA-N
XLogP5.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122329030
[(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-phenoxyphenyl)methanone
CID 122331396
(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4047781
(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
CID 42780998
(3-methoxyphenyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024075
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122331438
[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 93114995
[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 1024614
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 7482279
(4-methoxyphenyl)-[3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 16660422
[2-[4-(diethylamino)phenyl]-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 5073983

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone (CID 122331421) is [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone is COc1ccc(C2SCCN2C(=O)c2ccc(-c3cccs3)cc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone?
The InChIKey is IMOJJDYLZYYKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S2/c1-24-18-10-8-17(9-11-18)21-22(12-14-26-21)20(23)16-6-4-15(5-7-16)19-3-2-13-25-19/h2-11,13,21H,12,14H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone?
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone has a molecular weight of 381.52 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 122331421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).