3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole

C18H15N3OS2 — CID 53035958

IUPAC3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(-c3noc(-c4ccc(C)s4)n3)cc2)cs1
InChIInChI=1S/C18H15N3OS2/c1-3-16-19-14(10-23-16)12-5-7-13(8-6-12)17-20-18(22-21-17)15-9-4-11(2)24-15/h4-10H,3H2,1-2H3
InChIKeyJGPMXMBGSNGSRG-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.46
Rot. Bonds4

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

3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole (PubChem CID 53035958) has the molecular formula C18H15N3OS2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
PubChem CID53035958
Molecular FormulaC18H15N3OS2
Molecular Weight353.47 g/mol
Exact Mass353.07
IUPAC Name3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(-c3noc(-c4ccc(C)s4)n3)cc2)cs1
InChIInChI=1S/C18H15N3OS2/c1-3-16-19-14(10-23-16)12-5-7-13(8-6-12)17-20-18(22-21-17)15-9-4-11(2)24-15/h4-10H,3H2,1-2H3
InChIKeyJGPMXMBGSNGSRG-UHFFFAOYSA-N
XLogP5.46
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-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-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole (CID 53035958) is 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole is CCc1nc(-c2ccc(-c3noc(-c4ccc(C)s4)n3)cc2)cs1.
What is the InChIKey of 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
The InChIKey is JGPMXMBGSNGSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS2/c1-3-16-19-14(10-23-16)12-5-7-13(8-6-12)17-20-18(22-21-17)15-9-4-11(2)24-15/h4-10H,3H2,1-2H3.
What are the key properties of 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole has a molecular weight of 353.47 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53035958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).