N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C16H11N5O2S2 — CID 4679863

About N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 4679863) has the molecular formula C16H11N5O2S2 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 4679863
• Molecular Formula: C16H11N5O2S2
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.04
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: O=C(CSc1nnc(-c2cccnc2)o1)Nc1nc2ccccc2s1
• InChI: InChI=1S/C16H11N5O2S2/c22-13(19-15-18-11-5-1-2-6-12(11)25-15)9-24-16-21-20-14(23-16)10-4-3-7-17-8-10/h1-8H,9H2,(H,18,19,22)
• InChIKey: JYCZKHBURBSPOA-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 93.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 4679863) is N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2cccnc2)o1)Nc1nc2ccccc2s1.

What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is JYCZKHBURBSPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2S2/c22-13(19-15-18-11-5-1-2-6-12(11)25-15)9-24-16-21-20-14(23-16)10-4-3-7-17-8-10/h1-8H,9H2,(H,18,19,22).

What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4679863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).