2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole

C17H14BrNOS — CID 90202215

IUPAC2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole
SMILESBrc1ccc2ccc(-c3nc(C4CCOC4)cs3)cc2c1
InChIInChI=1S/C17H14BrNOS/c18-15-4-3-11-1-2-12(7-14(11)8-15)17-19-16(10-21-17)13-5-6-20-9-13/h1-4,7-8,10,13H,5-6,9H2
InChIKeyJUQFLWPKNZCLLM-UHFFFAOYSA-N
MW360.28 g/mol
LogP5.23
Rot. Bonds2

About 2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole

2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole (PubChem CID 90202215) has the molecular formula C17H14BrNOS and a molecular weight of 360.28 g/mol. Its IUPAC name is 2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole
PubChem CID90202215
Molecular FormulaC17H14BrNOS
Molecular Weight360.28 g/mol
Exact Mass359.00
IUPAC Name2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole
SMILESBrc1ccc2ccc(-c3nc(C4CCOC4)cs3)cc2c1
InChIInChI=1S/C17H14BrNOS/c18-15-4-3-11-1-2-12(7-14(11)8-15)17-19-16(10-21-17)13-5-6-20-9-13/h1-4,7-8,10,13H,5-6,9H2
InChIKeyJUQFLWPKNZCLLM-UHFFFAOYSA-N
XLogP5.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.28
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole?
The IUPAC name of 2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole (CID 90202215) is 2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole?
The canonical SMILES for 2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole is Brc1ccc2ccc(-c3nc(C4CCOC4)cs3)cc2c1.
What is the InChIKey of 2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole?
The InChIKey is JUQFLWPKNZCLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNOS/c18-15-4-3-11-1-2-12(7-14(11)8-15)17-19-16(10-21-17)13-5-6-20-9-13/h1-4,7-8,10,13H,5-6,9H2.
What are the key properties of 2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole?
2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole has a molecular weight of 360.28 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromonaphthalen-2-yl)-4-(oxolan-3-yl)-1,3-thiazole is sourced from PubChem (CID 90202215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).