5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole

C11H12N2OS — CID 162444221

IUPAC5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole
SMILESCCc1nc(-c2cccc(OC)c2)ns1
InChIInChI=1S/C11H12N2OS/c1-3-10-12-11(13-15-10)8-5-4-6-9(7-8)14-2/h4-7H,3H2,1-2H3
InChIKeyOZZQKCQOLZITEZ-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.78
Rot. Bonds3

About 5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole

5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole (PubChem CID 162444221) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole
PubChem CID162444221
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole
SMILESCCc1nc(-c2cccc(OC)c2)ns1
InChIInChI=1S/C11H12N2OS/c1-3-10-12-11(13-15-10)8-5-4-6-9(7-8)14-2/h4-7H,3H2,1-2H3
InChIKeyOZZQKCQOLZITEZ-UHFFFAOYSA-N
XLogP2.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride
CID 75485647
3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65268854
3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268111
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-[4,6-diethyl-2-(3-methoxyphenyl)pyrimidin-5-yl]ethanamine
CID 79219772
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529464
2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069372
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 126775905

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole?
The IUPAC name of 5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole (CID 162444221) is 5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole is CCc1nc(-c2cccc(OC)c2)ns1.
What is the InChIKey of 5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole?
The InChIKey is OZZQKCQOLZITEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-3-10-12-11(13-15-10)8-5-4-6-9(7-8)14-2/h4-7H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole?
5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole has a molecular weight of 220.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 162444221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).