[4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine

C11H16N4OS — CID 55249376

IUPAC[4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(CC(C)C)no1
InChIInChI=1S/C11H16N4OS/c1-6(2)4-8-14-11(16-15-8)10-7(3)13-9(5-12)17-10/h6H,4-5,12H2,1-3H3
InChIKeyJZUJUJOGQKNWIZ-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.16
Rot. Bonds4

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

[4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (PubChem CID 55249376) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is [4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
PubChem CID55249376
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name[4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc(CC(C)C)no1
InChIInChI=1S/C11H16N4OS/c1-6(2)4-8-14-11(16-15-8)10-7(3)13-9(5-12)17-10/h6H,4-5,12H2,1-3H3
InChIKeyJZUJUJOGQKNWIZ-UHFFFAOYSA-N
XLogP2.16
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine (CID 55249376) is [4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1-c1nc(CC(C)C)no1.
What is the InChIKey of [4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is JZUJUJOGQKNWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-6(2)4-8-14-11(16-15-8)10-7(3)13-9(5-12)17-10/h6H,4-5,12H2,1-3H3.
What are the key properties of [4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine?
[4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 252.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 55249376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).