2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole

C13H9ClN2OS — CID 80609998

IUPAC2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole
SMILESClc1nnc(COc2ccc3ccccc3c2)s1
InChIInChI=1S/C13H9ClN2OS/c14-13-16-15-12(18-13)8-17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKeyXXTGGZWKTQGTAS-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.92
Rot. Bonds3

About 2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole

2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole (PubChem CID 80609998) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole
PubChem CID80609998
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole
SMILESClc1nnc(COc2ccc3ccccc3c2)s1
InChIInChI=1S/C13H9ClN2OS/c14-13-16-15-12(18-13)8-17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKeyXXTGGZWKTQGTAS-UHFFFAOYSA-N
XLogP3.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole
CID 80611604
2-[(4-bromo-3-methylphenoxy)methyl]-5-chloro-1,3,4-thiadiazole
CID 83133606
2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole
CID 80606126
2-chloro-5-[(2-methoxyphenoxy)methyl]-1,3,4-thiadiazole
CID 80609217
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80610479
2-(naphthalen-2-yloxymethyl)-1,3-thiazole-5-carbaldehyde
CID 82305560
2-chloro-5-[(2,6-difluorophenoxy)methyl]-1,3,4-thiadiazole
CID 81269582
2-bromo-5-(naphthalen-2-yloxymethyl)thiophene
CID 63458037
6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
CID 9137806
5-[(6-bromonaphthalen-2-yl)oxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608673
2-chloro-5-[(2,6-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole
CID 80611058
2-chloro-6-phenylmethoxynaphthalene
CID 125116795

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole (CID 80609998) is 2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole is Clc1nnc(COc2ccc3ccccc3c2)s1.
What is the InChIKey of 2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole?
The InChIKey is XXTGGZWKTQGTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c14-13-16-15-12(18-13)8-17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2.
What are the key properties of 2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole?
2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole has a molecular weight of 276.75 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(naphthalen-2-yloxymethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 80609998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).