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

C10H10N6OS — CID 82895452

IUPAC4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESCn1cncc1-c1noc(Cc2csc(N)n2)n1
InChIInChI=1S/C10H10N6OS/c1-16-5-12-3-7(16)9-14-8(17-15-9)2-6-4-18-10(11)13-6/h3-5H,2H2,1H3,(H2,11,13)
InChIKeyNDWLHHBCLQDWJU-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.10
Rot. Bonds3

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

4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 82895452) has the molecular formula C10H10N6OS and a molecular weight of 262.30 g/mol. Its IUPAC name is 4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
PubChem CID82895452
Molecular FormulaC10H10N6OS
Molecular Weight262.30 g/mol
Exact Mass262.06
IUPAC Name4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESCn1cncc1-c1noc(Cc2csc(N)n2)n1
InChIInChI=1S/C10H10N6OS/c1-16-5-12-3-7(16)9-14-8(17-15-9)2-6-4-18-10(11)13-6/h3-5H,2H2,1H3,(H2,11,13)
InChIKeyNDWLHHBCLQDWJU-UHFFFAOYSA-N
XLogP1.10
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (CID 82895452) is 4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is Cn1cncc1-c1noc(Cc2csc(N)n2)n1.
What is the InChIKey of 4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is NDWLHHBCLQDWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6OS/c1-16-5-12-3-7(16)9-14-8(17-15-9)2-6-4-18-10(11)13-6/h3-5H,2H2,1H3,(H2,11,13).
What are the key properties of 4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 262.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82895452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).