5-ethoxy-2-naphthalen-1-yl-1,3-thiazole

C15H13NOS — CID 57148590

IUPAC5-ethoxy-2-naphthalen-1-yl-1,3-thiazole
SMILESCCOc1cnc(-c2cccc3ccccc23)s1
InChIInChI=1S/C15H13NOS/c1-2-17-14-10-16-15(18-14)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3
InChIKeyKOXLLHOVIXPCOZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.36
Rot. Bonds3

About 5-ethoxy-2-naphthalen-1-yl-1,3-thiazole

5-ethoxy-2-naphthalen-1-yl-1,3-thiazole (PubChem CID 57148590) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-ethoxy-2-naphthalen-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-ethoxy-2-naphthalen-1-yl-1,3-thiazole
PubChem CID57148590
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name5-ethoxy-2-naphthalen-1-yl-1,3-thiazole
SMILESCCOc1cnc(-c2cccc3ccccc23)s1
InChIInChI=1S/C15H13NOS/c1-2-17-14-10-16-15(18-14)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3
InChIKeyKOXLLHOVIXPCOZ-UHFFFAOYSA-N
XLogP4.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-naphthalen-1-yl-1,3-thiazole?
The IUPAC name of 5-ethoxy-2-naphthalen-1-yl-1,3-thiazole (CID 57148590) is 5-ethoxy-2-naphthalen-1-yl-1,3-thiazole.
What is the SMILES notation for 5-ethoxy-2-naphthalen-1-yl-1,3-thiazole?
The canonical SMILES for 5-ethoxy-2-naphthalen-1-yl-1,3-thiazole is CCOc1cnc(-c2cccc3ccccc23)s1.
What is the InChIKey of 5-ethoxy-2-naphthalen-1-yl-1,3-thiazole?
The InChIKey is KOXLLHOVIXPCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-2-17-14-10-16-15(18-14)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3.
What are the key properties of 5-ethoxy-2-naphthalen-1-yl-1,3-thiazole?
5-ethoxy-2-naphthalen-1-yl-1,3-thiazole has a molecular weight of 255.34 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-naphthalen-1-yl-1,3-thiazole is sourced from PubChem (CID 57148590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).