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

C12H12N4OS2 — CID 63617375

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

5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 63617375) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

• Compound Name: 5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
• PubChem CID: 63617375
• Molecular Formula: C12H12N4OS2
• Molecular Weight: 292.39 g/mol
• Exact Mass: 292.05
• IUPAC Name: 5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine
• SMILES: Cc1csc(Cc2noc(-c3cc(C)sc3N)n2)n1
• InChI: InChI=1S/C12H12N4OS2/c1-6-5-18-10(14-6)4-9-15-12(17-16-9)8-3-7(2)19-11(8)13/h3,5H,4,13H2,1-2H3
• InChIKey: VALMZLZKCWADET-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 77.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.39
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?

The IUPAC name of 5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 63617375) is 5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

What is the SMILES notation for 5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?

The canonical SMILES for 5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1csc(Cc2noc(-c3cc(C)sc3N)n2)n1.

What is the InChIKey of 5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?

The InChIKey is VALMZLZKCWADET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-6-5-18-10(14-6)4-9-15-12(17-16-9)8-3-7(2)19-11(8)13/h3,5H,4,13H2,1-2H3.

What are the key properties of 5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine?

5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 292.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 63617375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).