N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C18H15N5O4S2 — CID 55623845

About N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55623845) has the molecular formula C18H15N5O4S2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 55623845
• Molecular Formula: C18H15N5O4S2
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.06
• IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: CS(=O)(=O)c1ccc2nc(NC(=O)CCc3nc(-c4cccnc4)no3)sc2c1
• InChI: InChI=1S/C18H15N5O4S2/c1-29(25,26)12-4-5-13-14(9-12)28-18(20-13)21-15(24)6-7-16-22-17(23-27-16)11-3-2-8-19-10-11/h2-5,8-10H,6-7H2,1H3,(H,20,21,24)
• InChIKey: GXSAKFGPKHWADK-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 127.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55623845) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CS(=O)(=O)c1ccc2nc(NC(=O)CCc3nc(-c4cccnc4)no3)sc2c1.

What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is GXSAKFGPKHWADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4S2/c1-29(25,26)12-4-5-13-14(9-12)28-18(20-13)21-15(24)6-7-16-22-17(23-27-16)11-3-2-8-19-10-11/h2-5,8-10H,6-7H2,1H3,(H,20,21,24).

What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 429.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55623845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).