2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole

C13H8Cl2N2OS — CID 80606530

IUPAC2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole
SMILESClc1nnc(COc2ccc(Cl)c3ccccc23)s1
InChIInChI=1S/C13H8Cl2N2OS/c14-10-5-6-11(9-4-2-1-3-8(9)10)18-7-12-16-17-13(15)19-12/h1-6H,7H2
InChIKeyDMMAJLRJALZAOK-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.58
Rot. Bonds3

About 2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole

2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole (PubChem CID 80606530) has the molecular formula C13H8Cl2N2OS and a molecular weight of 311.19 g/mol. Its IUPAC name is 2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole
PubChem CID80606530
Molecular FormulaC13H8Cl2N2OS
Molecular Weight311.19 g/mol
Exact Mass309.97
IUPAC Name2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole
SMILESClc1nnc(COc2ccc(Cl)c3ccccc23)s1
InChIInChI=1S/C13H8Cl2N2OS/c14-10-5-6-11(9-4-2-1-3-8(9)10)18-7-12-16-17-13(15)19-12/h1-6H,7H2
InChIKeyDMMAJLRJALZAOK-UHFFFAOYSA-N
XLogP4.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole (CID 80606530) is 2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole is Clc1nnc(COc2ccc(Cl)c3ccccc23)s1.
What is the InChIKey of 2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole?
The InChIKey is DMMAJLRJALZAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2OS/c14-10-5-6-11(9-4-2-1-3-8(9)10)18-7-12-16-17-13(15)19-12/h1-6H,7H2.
What are the key properties of 2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole?
2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole has a molecular weight of 311.19 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 80606530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).