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

C19H15N3OS2 — CID 71843309

IUPAC3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2cccc(-c3noc(C=Cc4cccs4)n3)c2)cs1
InChIInChI=1S/C19H15N3OS2/c1-2-18-20-16(12-25-18)13-5-3-6-14(11-13)19-21-17(23-22-19)9-8-15-7-4-10-24-15/h3-12H,2H2,1H3
InChIKeyADXVFYYXMNULED-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.65
Rot. Bonds5

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

3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole (PubChem CID 71843309) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole
PubChem CID71843309
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC Name3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole
SMILESCCc1nc(-c2cccc(-c3noc(C=Cc4cccs4)n3)c2)cs1
InChIInChI=1S/C19H15N3OS2/c1-2-18-20-16(12-25-18)13-5-3-6-14(11-13)19-21-17(23-22-19)9-8-15-7-4-10-24-15/h3-12H,2H2,1H3
InChIKeyADXVFYYXMNULED-UHFFFAOYSA-N
XLogP5.65
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-propyl-3-[3-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 53209900
3-(4-methoxyphenyl)-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazole
CID 167991639
3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53035951
3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065299
N-[4-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 46380456
N-[[3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 53126972
(4R)-4-[3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 95092119
N-[1-[3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 53126980
4-(2-methylpropyl)-7-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]-1H-quinoxaline-2,3-dione
CID 53065658
3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole
CID 71843486
[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66381486
4-(3,4-dimethoxyphenyl)-2-(2-thiophen-2-ylethenyl)-1,3-thiazole
CID 4620919

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole (CID 71843309) is 3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole is CCc1nc(-c2cccc(-c3noc(C=Cc4cccs4)n3)c2)cs1.
What is the InChIKey of 3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole?
The InChIKey is ADXVFYYXMNULED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS2/c1-2-18-20-16(12-25-18)13-5-3-6-14(11-13)19-21-17(23-22-19)9-8-15-7-4-10-24-15/h3-12H,2H2,1H3.
What are the key properties of 3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole?
3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole has a molecular weight of 365.48 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-(2-thiophen-2-ylethenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71843309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).