N-(5-chloro-2-pyridinyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C12H13ClN4O2S — CID 3410471

About N-(5-chloro-2-pyridinyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(5-chloro-2-pyridinyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3410471) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 3410471
• Molecular Formula: C12H13ClN4O2S
• Molecular Weight: 312.78 g/mol
• Exact Mass: 312.04
• IUPAC Name: N-(5-chloro-2-pyridinyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: CC(C)c1nnc(SCC(=O)Nc2ccc(Cl)cn2)o1
• InChI: InChI=1S/C12H13ClN4O2S/c1-7(2)11-16-17-12(19-11)20-6-10(18)15-9-4-3-8(13)5-14-9/h3-5,7H,6H2,1-2H3,(H,14,15,18)
• InChIKey: ZCORUWWGMCGTQU-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.78
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3410471) is N-(5-chloro-2-pyridinyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CC(C)c1nnc(SCC(=O)Nc2ccc(Cl)cn2)o1.

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

The InChIKey is ZCORUWWGMCGTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-7(2)11-16-17-12(19-11)20-6-10(18)15-9-4-3-8(13)5-14-9/h3-5,7H,6H2,1-2H3,(H,14,15,18).

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

N-(5-chloro-2-pyridinyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 312.78 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3410471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).