[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone

C19H17NOS2 — CID 4112872

IUPAC[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
SMILESCc1ccc(C2SCCN2C(=O)c2cccc3ccccc23)s1
InChIInChI=1S/C19H17NOS2/c1-13-9-10-17(23-13)19-20(11-12-22-19)18(21)16-8-4-6-14-5-2-3-7-15(14)16/h2-10,19H,11-12H2,1H3
InChIKeyWUNHQAMCLUQHTQ-UHFFFAOYSA-N
MW339.49 g/mol
LogP5.10
Rot. Bonds2

About [2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone

[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone (PubChem CID 4112872) has the molecular formula C19H17NOS2 and a molecular weight of 339.49 g/mol. Its IUPAC name is [2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
PubChem CID4112872
Molecular FormulaC19H17NOS2
Molecular Weight339.49 g/mol
Exact Mass339.08
IUPAC Name[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
SMILESCc1ccc(C2SCCN2C(=O)c2cccc3ccccc23)s1
InChIInChI=1S/C19H17NOS2/c1-13-9-10-17(23-13)19-20(11-12-22-19)18(21)16-8-4-6-14-5-2-3-7-15(14)16/h2-10,19H,11-12H2,1H3
InChIKeyWUNHQAMCLUQHTQ-UHFFFAOYSA-N
XLogP5.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone (CID 4112872) is [2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone is Cc1ccc(C2SCCN2C(=O)c2cccc3ccccc23)s1.
What is the InChIKey of [2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is WUNHQAMCLUQHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS2/c1-13-9-10-17(23-13)19-20(11-12-22-19)18(21)16-8-4-6-14-5-2-3-7-15(14)16/h2-10,19H,11-12H2,1H3.
What are the key properties of [2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone?
[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 339.49 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 4112872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).