5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

C17H12FN3S — CID 71552920

IUPAC5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1ccc(-c2c(-c3ccc(F)cc3)sc3ncnn23)cc1
InChIInChI=1S/C17H12FN3S/c1-11-2-4-12(5-3-11)15-16(13-6-8-14(18)9-7-13)22-17-19-10-20-21(15)17/h2-10H,1H3
InChIKeyHKKKSCZPYXMTSS-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.57
Rot. Bonds2

About 5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 71552920) has the molecular formula C17H12FN3S and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID71552920
Molecular FormulaC17H12FN3S
Molecular Weight309.37 g/mol
Exact Mass309.07
IUPAC Name5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCc1ccc(-c2c(-c3ccc(F)cc3)sc3ncnn23)cc1
InChIInChI=1S/C17H12FN3S/c1-11-2-4-12(5-3-11)15-16(13-6-8-14(18)9-7-13)22-17-19-10-20-21(15)17/h2-10H,1H3
InChIKeyHKKKSCZPYXMTSS-UHFFFAOYSA-N
XLogP4.57
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 71552920) is 5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is Cc1ccc(-c2c(-c3ccc(F)cc3)sc3ncnn23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is HKKKSCZPYXMTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3S/c1-11-2-4-12(5-3-11)15-16(13-6-8-14(18)9-7-13)22-17-19-10-20-21(15)17/h2-10H,1H3.
What are the key properties of 5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 309.37 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 71552920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).