3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C16H11ClN4OS — CID 71538316

IUPAC3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccccc1COc1ccc(-c2nnc3scnn23)cc1
InChIInChI=1S/C16H11ClN4OS/c17-14-4-2-1-3-12(14)9-22-13-7-5-11(6-8-13)15-19-20-16-21(15)18-10-23-16/h1-8,10H,9H2
InChIKeyGVIQBAQWFATQFV-UHFFFAOYSA-N
MW342.81 g/mol
LogP4.09
Rot. Bonds4

About 3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 71538316) has the molecular formula C16H11ClN4OS and a molecular weight of 342.81 g/mol. Its IUPAC name is 3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID71538316
Molecular FormulaC16H11ClN4OS
Molecular Weight342.81 g/mol
Exact Mass342.03
IUPAC Name3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccccc1COc1ccc(-c2nnc3scnn23)cc1
InChIInChI=1S/C16H11ClN4OS/c17-14-4-2-1-3-12(14)9-22-13-7-5-11(6-8-13)15-19-20-16-21(15)18-10-23-16/h1-8,10H,9H2
InChIKeyGVIQBAQWFATQFV-UHFFFAOYSA-N
XLogP4.09
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
3-[4-[(2-chlorophenyl)methoxy]phenyl]-6-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71538590
5-[4-[(2-chlorophenyl)methoxy]phenyl]-2H-tetrazole;hydrochloride
CID 163327284
3-[4-[(2-chlorophenyl)methoxy]phenyl]-5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
CID 56935513
6-[(2-chlorophenoxy)methyl]-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 4897427
4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8814346
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-(4-phenylpiperazin-1-yl)-1,3-oxazole-4-carbonitrile
CID 2003510
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 18822756
3-(4-tert-butylphenyl)-6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 22332332
5-[4-[(2-chlorophenyl)methoxy]phenyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 22332347
N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865825
6-[(2-chlorophenoxy)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7313653

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 71538316) is 3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Clc1ccccc1COc1ccc(-c2nnc3scnn23)cc1.
What is the InChIKey of 3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is GVIQBAQWFATQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4OS/c17-14-4-2-1-3-12(14)9-22-13-7-5-11(6-8-13)15-19-20-16-21(15)18-10-23-16/h1-8,10H,9H2.
What are the key properties of 3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 342.81 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chlorophenyl)methoxy]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 71538316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).