5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine

C9H12N4O2S — CID 62793825

IUPAC5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCc1noc(-c2sc(N)nc2C)n1
InChIInChI=1S/C9H12N4O2S/c1-5-7(16-9(10)11-5)8-12-6(13-15-8)3-4-14-2/h3-4H2,1-2H3,(H2,10,11)
InChIKeyKVBYNOGZGVOBCV-UHFFFAOYSA-N
MW240.29 g/mol
LogP1.27
Rot. Bonds4

About 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine

5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 62793825) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID62793825
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCc1noc(-c2sc(N)nc2C)n1
InChIInChI=1S/C9H12N4O2S/c1-5-7(16-9(10)11-5)8-12-6(13-15-8)3-4-14-2/h3-4H2,1-2H3,(H2,10,11)
InChIKeyKVBYNOGZGVOBCV-UHFFFAOYSA-N
XLogP1.27
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine (CID 62793825) is 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine is COCCc1noc(-c2sc(N)nc2C)n1.
What is the InChIKey of 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is KVBYNOGZGVOBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-5-7(16-9(10)11-5)8-12-6(13-15-8)3-4-14-2/h3-4H2,1-2H3,(H2,10,11).
What are the key properties of 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine?
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 240.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62793825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).