2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole

C12H6BrClN2OS — CID 64624072

IUPAC2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole
SMILESClc1ccc(Oc2nnc(Br)s2)c2ccccc12
InChIInChI=1S/C12H6BrClN2OS/c13-11-15-16-12(18-11)17-10-6-5-9(14)7-3-1-2-4-8(7)10/h1-6H
InChIKeyKRBAFNFXHPCRRR-UHFFFAOYSA-N
MW341.62 g/mol
LogP4.90
Rot. Bonds2

About 2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole

2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole (PubChem CID 64624072) has the molecular formula C12H6BrClN2OS and a molecular weight of 341.62 g/mol. Its IUPAC name is 2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole
PubChem CID64624072
Molecular FormulaC12H6BrClN2OS
Molecular Weight341.62 g/mol
Exact Mass339.91
IUPAC Name2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole
SMILESClc1ccc(Oc2nnc(Br)s2)c2ccccc12
InChIInChI=1S/C12H6BrClN2OS/c13-11-15-16-12(18-11)17-10-6-5-9(14)7-3-1-2-4-8(7)10/h1-6H
InChIKeyKRBAFNFXHPCRRR-UHFFFAOYSA-N
XLogP4.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.62
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole (CID 64624072) is 2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole is Clc1ccc(Oc2nnc(Br)s2)c2ccccc12.
What is the InChIKey of 2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole?
The InChIKey is KRBAFNFXHPCRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2OS/c13-11-15-16-12(18-11)17-10-6-5-9(14)7-3-1-2-4-8(7)10/h1-6H.
What are the key properties of 2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole?
2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole has a molecular weight of 341.62 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-chloronaphthalen-1-yl)oxy-1,3,4-thiadiazole is sourced from PubChem (CID 64624072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).