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

C17H13N3OS2 — CID 53035951

IUPAC3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(-c3noc(-c4cccs4)n3)cc2)cs1
InChIInChI=1S/C17H13N3OS2/c1-2-15-18-13(10-23-15)11-5-7-12(8-6-11)16-19-17(21-20-16)14-4-3-9-22-14/h3-10H,2H2,1H3
InChIKeyYMZQUFJMBAAECJ-UHFFFAOYSA-N
MW339.45 g/mol
LogP5.15
Rot. Bonds4

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

3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 53035951) has the molecular formula C17H13N3OS2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID53035951
Molecular FormulaC17H13N3OS2
Molecular Weight339.45 g/mol
Exact Mass339.05
IUPAC Name3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCc1nc(-c2ccc(-c3noc(-c4cccs4)n3)cc2)cs1
InChIInChI=1S/C17H13N3OS2/c1-2-15-18-13(10-23-15)11-5-7-12(8-6-11)16-19-17(21-20-16)14-4-3-9-22-14/h3-10H,2H2,1H3
InChIKeyYMZQUFJMBAAECJ-UHFFFAOYSA-N
XLogP5.15
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.45
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclobutyl-3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53010904
N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112540
[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 66380521
3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole
CID 71843309
3-(2,3-diethylbenzimidazol-5-yl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53172758
3-[4-(4-fluorophenoxy)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53103359
2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66372888
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
3-(4-bromo-3-chlorophenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 25191147
5-(2-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035901
N-[(1S)-1-[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 95086855
3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53138563

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 53035951) is 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole is CCc1nc(-c2ccc(-c3noc(-c4cccs4)n3)cc2)cs1.
What is the InChIKey of 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is YMZQUFJMBAAECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS2/c1-2-15-18-13(10-23-15)11-5-7-12(8-6-11)16-19-17(21-20-16)14-4-3-9-22-14/h3-10H,2H2,1H3.
What are the key properties of 3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 339.45 g/mol, XLogP of 5.15, 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-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53035951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).