3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole

C18H13N5OS — CID 53011767

IUPAC3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1cc(-c2csc(C3CC3)n2)cc(-c2noc(-c3cnccn3)n2)c1
InChIInChI=1S/C18H13N5OS/c1-2-12(15-10-25-18(21-15)11-4-5-11)8-13(3-1)16-22-17(24-23-16)14-9-19-6-7-20-14/h1-3,6-11H,4-5H2
InChIKeyQEUWJLMVEZVBCI-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.19
Rot. Bonds4

About 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole

3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 53011767) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID53011767
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1cc(-c2csc(C3CC3)n2)cc(-c2noc(-c3cnccn3)n2)c1
InChIInChI=1S/C18H13N5OS/c1-2-12(15-10-25-18(21-15)11-4-5-11)8-13(3-1)16-22-17(24-23-16)14-9-19-6-7-20-14/h1-3,6-11H,4-5H2
InChIKeyQEUWJLMVEZVBCI-UHFFFAOYSA-N
XLogP4.19
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole (CID 53011767) is 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole is c1cc(-c2csc(C3CC3)n2)cc(-c2noc(-c3cnccn3)n2)c1.
What is the InChIKey of 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is QEUWJLMVEZVBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c1-2-12(15-10-25-18(21-15)11-4-5-11)8-13(3-1)16-22-17(24-23-16)14-9-19-6-7-20-14/h1-3,6-11H,4-5H2.
What are the key properties of 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole?
3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 347.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53011767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).