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

C13H9NS — CID 15532487

IUPAC2-naphthalen-1-yl-1,3-thiazole
SMILESc1ccc2c(-c3nccs3)cccc2c1
InChIInChI=1S/C13H9NS/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-9H
InChIKeyCSNMPROUXVMUBU-UHFFFAOYSA-N
MW211.29 g/mol
LogP3.96
Rot. Bonds1

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

2-naphthalen-1-yl-1,3-thiazole (PubChem CID 15532487) has the molecular formula C13H9NS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-1,3-thiazole
PubChem CID15532487
Molecular FormulaC13H9NS
Molecular Weight211.29 g/mol
Exact Mass211.05
IUPAC Name2-naphthalen-1-yl-1,3-thiazole
SMILESc1ccc2c(-c3nccs3)cccc2c1
InChIInChI=1S/C13H9NS/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-9H
InChIKeyCSNMPROUXVMUBU-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1,3-thiazole?
The IUPAC name of 2-naphthalen-1-yl-1,3-thiazole (CID 15532487) is 2-naphthalen-1-yl-1,3-thiazole.
What is the SMILES notation for 2-naphthalen-1-yl-1,3-thiazole?
The canonical SMILES for 2-naphthalen-1-yl-1,3-thiazole is c1ccc2c(-c3nccs3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-1,3-thiazole?
The InChIKey is CSNMPROUXVMUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NS/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-9H.
What are the key properties of 2-naphthalen-1-yl-1,3-thiazole?
2-naphthalen-1-yl-1,3-thiazole has a molecular weight of 211.29 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1,3-thiazole is sourced from PubChem (CID 15532487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).