2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole

C21H17NOS — CID 2446135

IUPAC2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole
SMILESCCOc1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C21H17NOS/c1-2-23-19-11-9-16(10-12-19)21-22-20(14-24-21)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,2H2,1H3
InChIKeyJRAWQXYLJRIVTB-UHFFFAOYSA-N
MW331.44 g/mol
LogP6.03
Rot. Bonds4

About 2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole

2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole (PubChem CID 2446135) has the molecular formula C21H17NOS and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole
PubChem CID2446135
Molecular FormulaC21H17NOS
Molecular Weight331.44 g/mol
Exact Mass331.10
IUPAC Name2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole
SMILESCCOc1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C21H17NOS/c1-2-23-19-11-9-16(10-12-19)21-22-20(14-24-21)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,2H2,1H3
InChIKeyJRAWQXYLJRIVTB-UHFFFAOYSA-N
XLogP6.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole (CID 2446135) is 2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole is CCOc1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole?
The InChIKey is JRAWQXYLJRIVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NOS/c1-2-23-19-11-9-16(10-12-19)21-22-20(14-24-21)18-8-7-15-5-3-4-6-17(15)13-18/h3-14H,2H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole?
2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole has a molecular weight of 331.44 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-naphthalen-2-yl-1,3-thiazole is sourced from PubChem (CID 2446135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).