2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide

C16H18N6O2S — CID 134714053

About 2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide

2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 134714053) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

• Compound Name: 2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide
• PubChem CID: 134714053
• Molecular Formula: C16H18N6O2S
• Molecular Weight: 358.43 g/mol
• Exact Mass: 358.12
• IUPAC Name: 2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide
• SMILES: CCC(C(=O)Nc1nccs1)N(C)Cc1nc(-c2ccccn2)no1
• InChI: InChI=1S/C16H18N6O2S/c1-3-12(15(23)20-16-18-8-9-25-16)22(2)10-13-19-14(21-24-13)11-6-4-5-7-17-11/h4-9,12H,3,10H2,1-2H3,(H,18,20,23)
• InChIKey: DYUSAGCIITYQJY-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.43
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide?

The IUPAC name of 2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide (CID 134714053) is 2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide.

What is the SMILES notation for 2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide?

The canonical SMILES for 2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide is CCC(C(=O)Nc1nccs1)N(C)Cc1nc(-c2ccccn2)no1.

What is the InChIKey of 2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide?

The InChIKey is DYUSAGCIITYQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-3-12(15(23)20-16-18-8-9-25-16)22(2)10-13-19-14(21-24-13)11-6-4-5-7-17-11/h4-9,12H,3,10H2,1-2H3,(H,18,20,23).

What are the key properties of 2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide?

2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 358.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 134714053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).