6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C16H12N4OS — CID 91678977

IUPAC6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(COc2ccc(-c3nn4cnnc4s3)cc2)cc1
InChIInChI=1S/C16H12N4OS/c1-2-4-12(5-3-1)10-21-14-8-6-13(7-9-14)15-19-20-11-17-18-16(20)22-15/h1-9,11H,10H2
InChIKeySAWSCNDMWYTMBK-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.43
Rot. Bonds4

About 6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 91678977) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID91678977
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(COc2ccc(-c3nn4cnnc4s3)cc2)cc1
InChIInChI=1S/C16H12N4OS/c1-2-4-12(5-3-1)10-21-14-8-6-13(7-9-14)15-19-20-11-17-18-16(20)22-15/h1-9,11H,10H2
InChIKeySAWSCNDMWYTMBK-UHFFFAOYSA-N
XLogP3.43
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenoxy]acetic acid
CID 91678950
N-(4-phenylmethoxyphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385766
6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2989995
N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-phenoxyacetamide
CID 17163102
6-(4-methylphenyl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 937893
6-(4-chlorophenyl)-3-(phenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 931850
2-(2-fluorophenoxy)-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]acetamide
CID 17027422
5-(4-phenylmethoxyphenyl)-1,3-thiazol-2-amine
CID 116811767
6-(1-propylpyridin-1-ium-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 100817707
N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide
CID 168652646
2-(4-bromophenoxy)-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17358376
2-[5-(4-phenylmethoxyphenyl)tetrazol-2-yl]acetate
CID 7200380

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 91678977) is 6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc(COc2ccc(-c3nn4cnnc4s3)cc2)cc1.
What is the InChIKey of 6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is SAWSCNDMWYTMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-2-4-12(5-3-1)10-21-14-8-6-13(7-9-14)15-19-20-11-17-18-16(20)22-15/h1-9,11H,10H2.
What are the key properties of 6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 308.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 91678977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).