3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one

C20H17NOS — CID 71819003

IUPAC3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2cccc3ccccc23)cc1
InChIInChI=1S/C20H17NOS/c1-14-9-11-16(12-10-14)21-19(22)13-23-20(21)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,20H,13H2,1H3
InChIKeyFMQFXEZNVQTWAV-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.93
Rot. Bonds2

About 3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one

3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one (PubChem CID 71819003) has the molecular formula C20H17NOS and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one
PubChem CID71819003
Molecular FormulaC20H17NOS
Molecular Weight319.43 g/mol
Exact Mass319.10
IUPAC Name3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CSC2c2cccc3ccccc23)cc1
InChIInChI=1S/C20H17NOS/c1-14-9-11-16(12-10-14)21-19(22)13-23-20(21)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,20H,13H2,1H3
InChIKeyFMQFXEZNVQTWAV-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one (CID 71819003) is 3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CSC2c2cccc3ccccc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one?
The InChIKey is FMQFXEZNVQTWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NOS/c1-14-9-11-16(12-10-14)21-19(22)13-23-20(21)18-8-4-6-15-5-2-3-7-17(15)18/h2-12,20H,13H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one?
3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one has a molecular weight of 319.43 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-naphthalen-1-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 71819003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).