4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine

C11H12N6OS — CID 39782172

IUPAC4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine
SMILESCn1cnc(-c2noc(CCc3csc(N)n3)n2)c1
InChIInChI=1S/C11H12N6OS/c1-17-4-8(13-6-17)10-15-9(18-16-10)3-2-7-5-19-11(12)14-7/h4-6H,2-3H2,1H3,(H2,12,14)
InChIKeyAZQFYTSSFRKMPD-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.29
Rot. Bonds4

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

4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine (PubChem CID 39782172) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine
PubChem CID39782172
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine
SMILESCn1cnc(-c2noc(CCc3csc(N)n3)n2)c1
InChIInChI=1S/C11H12N6OS/c1-17-4-8(13-6-17)10-15-9(18-16-10)3-2-7-5-19-11(12)14-7/h4-6H,2-3H2,1H3,(H2,12,14)
InChIKeyAZQFYTSSFRKMPD-UHFFFAOYSA-N
XLogP1.29
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine (CID 39782172) is 4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine is Cn1cnc(-c2noc(CCc3csc(N)n3)n2)c1.
What is the InChIKey of 4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine?
The InChIKey is AZQFYTSSFRKMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-17-4-8(13-6-17)10-15-9(18-16-10)3-2-7-5-19-11(12)14-7/h4-6H,2-3H2,1H3,(H2,12,14).
What are the key properties of 4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine?
4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine has a molecular weight of 276.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(1-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 39782172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).