3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

C17H13N3OS — CID 10935707

IUPAC3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCOc1ccc(-c2nnc3scc(-c4ccccc4)n23)cc1
InChIInChI=1S/C17H13N3OS/c1-21-14-9-7-13(8-10-14)16-18-19-17-20(16)15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeySYKQWKNQGWEWKP-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.13
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole

3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 10935707) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID10935707
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCOc1ccc(-c2nnc3scc(-c4ccccc4)n23)cc1
InChIInChI=1S/C17H13N3OS/c1-21-14-9-7-13(8-10-14)16-18-19-17-20(16)15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeySYKQWKNQGWEWKP-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

Analyze 3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 4057474
N-(4-methoxyphenyl)-2-[(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)sulfanyl]acetamide
CID 1179263
3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 30222922
3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide
CID 21177480
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
12-(4-methoxyphenyl)-14-thia-11,16-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
CID 10065351
3-(4-methoxyphenyl)-6-(1-phenoxyethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11840644
3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 86260022
methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 165492506
6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198905
6-(furan-2-yl)-3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216185
3-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-2-thione
CID 741656

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 10935707) is 3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is COc1ccc(-c2nnc3scc(-c4ccccc4)n23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is SYKQWKNQGWEWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-21-14-9-7-13(8-10-14)16-18-19-17-20(16)15(11-22-17)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][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 3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 10935707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).