3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole

C19H19N5O3S2 — CID 2230304

IUPAC3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCCn1c(SCc2nc(-c3ccc(OC)c(OC)c3)no2)nnc1-c1cccs1
InChIInChI=1S/C19H19N5O3S2/c1-4-24-18(15-6-5-9-28-15)21-22-19(24)29-11-16-20-17(23-27-16)12-7-8-13(25-2)14(10-12)26-3/h5-10H,4,11H2,1-3H3
InChIKeyBGTVUXSTXJOOCR-UHFFFAOYSA-N
MW429.53 g/mol
LogP4.39
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole

3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 2230304) has the molecular formula C19H19N5O3S2 and a molecular weight of 429.53 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID2230304
Molecular FormulaC19H19N5O3S2
Molecular Weight429.53 g/mol
Exact Mass429.09
IUPAC Name3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCCn1c(SCc2nc(-c3ccc(OC)c(OC)c3)no2)nnc1-c1cccs1
InChIInChI=1S/C19H19N5O3S2/c1-4-24-18(15-6-5-9-28-15)21-22-19(24)29-11-16-20-17(23-27-16)12-7-8-13(25-2)14(10-12)26-3/h5-10H,4,11H2,1-3H3
InChIKeyBGTVUXSTXJOOCR-UHFFFAOYSA-N
XLogP4.39
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-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

Related Compounds

6-(3,4-Dimethoxyphenyl)-3-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 3163969
3-(4-methoxyphenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]methyl}-1,2,4-oxadiazole
CID 1253767
N-(1,3-benzodioxol-5-ylmethyl)-2-{[4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 1300204
2-(5-Benzo[1,3]dioxol-5-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 1428962
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2548696
2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2611874
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 5156301
3-(3,4-Dimethoxyphenyl)-6-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 661678
N-(1,3-benzodioxol-5-ylmethyl)-2-{[4-methyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 1292671
2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2599287
3-(3,4-Dimethoxyphenyl)-5-{[(5-phenyl-4-propyl-4H-1,2,4-triazol-3-YL)sulfanyl]methyl}-1,2,4-oxadiazole
CID 16013229
5-({[5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-YL]sulfanyl}methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 16013233

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 2230304) is 3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole is CCn1c(SCc2nc(-c3ccc(OC)c(OC)c3)no2)nnc1-c1cccs1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is BGTVUXSTXJOOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S2/c1-4-24-18(15-6-5-9-28-15)21-22-19(24)29-11-16-20-17(23-27-16)12-7-8-13(25-2)14(10-12)26-3/h5-10H,4,11H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 429.53 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2230304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).