2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole

C17H13N3OS — CID 2140141

IUPAC2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCOc1ccc(-c2nc3scc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C17H13N3OS/c1-21-14-9-7-13(8-10-14)16-18-17-20(19-16)15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyMCAZWYQPWRTUNO-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.13
Rot. Bonds3

About 2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole

2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 2140141) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID2140141
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCOc1ccc(-c2nc3scc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C17H13N3OS/c1-21-14-9-7-13(8-10-14)16-18-17-20(19-16)15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyMCAZWYQPWRTUNO-UHFFFAOYSA-N
XLogP4.13
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole, 3-((4-methoxyphenyl)methyl)-6-phenyl-
CID 2990078
6-(4-Methoxyphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662977
4-(4-Methoxyphenyl)-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazole
CID 3889772
4-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1,3-thiazol-2-amine
CID 1300486
2-(4-Fluorophenyl)-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}acetamide
CID 7243428
N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]ethanesulfonamide
CID 7287111
4-Fluoro-N-{2-[2-(4-methoxyphenyl)-[1,2,4]triazolo[3,2-B][1,3]thiazol-6-YL]ethyl}-2-methylbenzene-1-sulfonamide
CID 16032124
4-(4-Methoxyphenyl)-2-[5-(4-methylphenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 45150869
4-[6-(4-Methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 132547291
1H-Pyrazol-5-amine, 3-(4-methoxyphenyl)-1-(4-phenyl-2-thiazolyl)-
CID 852600
Thiazolo(3,2-b)(1,2,4)-triazole, 6-(4-bromophenyl)-2-(3,4,5-trimethoxyphenyl)-
CID 3072096
Thiazolo(3,2-b)(1,2,4)triazole, 6-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-
CID 3072097

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 2140141) is 2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole is COc1ccc(-c2nc3scc(-c4ccccc4)n3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is MCAZWYQPWRTUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-21-14-9-7-13(8-10-14)16-18-17-20(19-16)15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole?
2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 307.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 2140141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).