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

C10H14N4O2S — CID 79391874

IUPAC4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(CCOC)no1
InChIInChI=1S/C10H14N4O2S/c1-6-8(10(11-2)17-14-6)9-12-7(13-16-9)4-5-15-3/h11H,4-5H2,1-3H3
InChIKeyXTCZLTMZZXODDL-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.73
Rot. Bonds5

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

4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (PubChem CID 79391874) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
PubChem CID79391874
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCNc1snc(C)c1-c1nc(CCOC)no1
InChIInChI=1S/C10H14N4O2S/c1-6-8(10(11-2)17-14-6)9-12-7(13-16-9)4-5-15-3/h11H,4-5H2,1-3H3
InChIKeyXTCZLTMZZXODDL-UHFFFAOYSA-N
XLogP1.73
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (CID 79391874) is 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is CNc1snc(C)c1-c1nc(CCOC)no1.
What is the InChIKey of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The InChIKey is XTCZLTMZZXODDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-6-8(10(11-2)17-14-6)9-12-7(13-16-9)4-5-15-3/h11H,4-5H2,1-3H3.
What are the key properties of 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine has a molecular weight of 254.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is sourced from PubChem (CID 79391874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).