2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

C30H23N3O2S — CID 44583599

IUPAC2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESc1ccc(COc2ccc(-c3nc4scc(-c5ccc(OCc6ccccc6)cc5)n4n3)cc2)cc1
InChIInChI=1S/C30H23N3O2S/c1-3-7-22(8-4-1)19-34-26-15-11-24(12-16-26)28-21-36-30-31-29(32-33(28)30)25-13-17-27(18-14-25)35-20-23-9-5-2-6-10-23/h1-18,21H,19-20H2
InChIKeyHTAUKGYPEATILA-UHFFFAOYSA-N
MW489.60 g/mol
LogP7.28
Rot. Bonds8

About 2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 44583599) has the molecular formula C30H23N3O2S and a molecular weight of 489.60 g/mol. Its IUPAC name is 2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID44583599
Molecular FormulaC30H23N3O2S
Molecular Weight489.60 g/mol
Exact Mass489.15
IUPAC Name2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESc1ccc(COc2ccc(-c3nc4scc(-c5ccc(OCc6ccccc6)cc5)n4n3)cc2)cc1
InChIInChI=1S/C30H23N3O2S/c1-3-7-22(8-4-1)19-34-26-15-11-24(12-16-26)28-21-36-30-31-29(32-33(28)30)25-13-17-27(18-14-25)35-20-23-9-5-2-6-10-23/h1-18,21H,19-20H2
InChIKeyHTAUKGYPEATILA-UHFFFAOYSA-N
XLogP7.28
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498307
2-(4-methoxyphenyl)-7-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498210
2-(4-bromophenyl)-5-[(4-phenylmethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2908471
(5Z)-2-(4-ethoxyphenyl)-5-[(4-phenylmethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6125138
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108729017
1-[4-[(4-bromophenyl)methoxy]phenyl]-[1,3]thiazolo[3,2-a]benzimidazole
CID 56696528
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-phenoxypropanamide
CID 108729048
4-(chloromethyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 43322647
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108728432
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 108751871
4-hexoxy-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751813

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 44583599) is 2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is c1ccc(COc2ccc(-c3nc4scc(-c5ccc(OCc6ccccc6)cc5)n4n3)cc2)cc1.
What is the InChIKey of 2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is HTAUKGYPEATILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O2S/c1-3-7-22(8-4-1)19-34-26-15-11-24(12-16-26)28-21-36-30-31-29(32-33(28)30)25-13-17-27(18-14-25)35-20-23-9-5-2-6-10-23/h1-18,21H,19-20H2.
What are the key properties of 2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 489.60 g/mol, XLogP of 7.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-phenylmethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 44583599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).