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

C13H12N4O2S — CID 116743724

IUPAC4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCOC(c1ccccc1)c1noc(-c2csc(N)n2)n1
InChIInChI=1S/C13H12N4O2S/c1-18-10(8-5-3-2-4-6-8)11-16-12(19-17-11)9-7-20-13(14)15-9/h2-7,10H,1H3,(H2,14,15)
InChIKeyQVTOQVOOLCURML-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.51
Rot. Bonds4

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

4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 116743724) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID116743724
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESCOC(c1ccccc1)c1noc(-c2csc(N)n2)n1
InChIInChI=1S/C13H12N4O2S/c1-18-10(8-5-3-2-4-6-8)11-16-12(19-17-11)9-7-20-13(14)15-9/h2-7,10H,1H3,(H2,14,15)
InChIKeyQVTOQVOOLCURML-UHFFFAOYSA-N
XLogP2.51
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (CID 116743724) is 4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is COC(c1ccccc1)c1noc(-c2csc(N)n2)n1.
What is the InChIKey of 4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is QVTOQVOOLCURML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-18-10(8-5-3-2-4-6-8)11-16-12(19-17-11)9-7-20-13(14)15-9/h2-7,10H,1H3,(H2,14,15).
What are the key properties of 4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 288.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 116743724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).