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

C18H19NO2S — CID 86264790

IUPAC[2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
SMILESCOc1cccc(C2SCCN2C(=O)c2ccccc2C)c1
InChIInChI=1S/C18H19NO2S/c1-13-6-3-4-9-16(13)17(20)19-10-11-22-18(19)14-7-5-8-15(12-14)21-2/h3-9,12,18H,10-11H2,1-2H3
InChIKeyHZCMJMHUEZJIAR-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.89
Rot. Bonds3

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

[2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone (PubChem CID 86264790) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
PubChem CID86264790
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name[2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
SMILESCOc1cccc(C2SCCN2C(=O)c2ccccc2C)c1
InChIInChI=1S/C18H19NO2S/c1-13-6-3-4-9-16(13)17(20)19-10-11-22-18(19)14-7-5-8-15(12-14)21-2/h3-9,12,18H,10-11H2,1-2H3
InChIKeyHZCMJMHUEZJIAR-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone?
The IUPAC name of [2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone (CID 86264790) is [2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone is COc1cccc(C2SCCN2C(=O)c2ccccc2C)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone?
The InChIKey is HZCMJMHUEZJIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-13-6-3-4-9-16(13)17(20)19-10-11-22-18(19)14-7-5-8-15(12-14)21-2/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of [2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone?
[2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone has a molecular weight of 313.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 86264790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).