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

C23H21NO3S — CID 122331396

IUPAC[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO3S/c1-26-19-11-9-18(10-12-19)23-24(15-16-28-23)22(25)17-7-13-21(14-8-17)27-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3
InChIKeyDSINAQDBROZFTP-UHFFFAOYSA-N
MW391.49 g/mol
LogP5.38
Rot. Bonds5

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

[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone (PubChem CID 122331396) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
PubChem CID122331396
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO3S/c1-26-19-11-9-18(10-12-19)23-24(15-16-28-23)22(25)17-7-13-21(14-8-17)27-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3
InChIKeyDSINAQDBROZFTP-UHFFFAOYSA-N
XLogP5.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4047781
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122331421
(2-methyl-1,3-thiazolidin-3-yl)-(4-phenoxyphenyl)methanone
CID 122331716
[(2R)-2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-thiophen-3-ylphenyl)methanone
CID 100713336
[2-(2-chlorophenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122329357
[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 4058369
[(2R)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 93114995
(3-methoxyphenyl)-[(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 1024075
[(2R)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-phenylphenyl)methanone
CID 7482279
(4-phenylphenyl)-(2-pyridin-4-yl-1,3-thiazolidin-3-yl)methanone
CID 42780998
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122331438
[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-phenoxyphenyl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone (CID 122331396) is [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone is COc1ccc(C2SCCN2C(=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is DSINAQDBROZFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-26-19-11-9-18(10-12-19)23-24(15-16-28-23)22(25)17-7-13-21(14-8-17)27-20-5-3-2-4-6-20/h2-14,23H,15-16H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone?
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 391.49 g/mol, XLogP of 5.38, 5 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-phenoxyphenyl)methanone is sourced from PubChem (CID 122331396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).