(2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

C15H14N4O2S2 — CID 94188894

About (2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

(2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 94188894) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is (2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
• PubChem CID: 94188894
• Molecular Formula: C15H14N4O2S2
• Molecular Weight: 346.44 g/mol
• Exact Mass: 346.06
• IUPAC Name: (2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
• SMILES: Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3nccs3)o2)cc1
• InChI: InChI=1S/C15H14N4O2S2/c1-9-3-5-11(6-4-9)13-18-19-15(21-13)23-10(2)12(20)17-14-16-7-8-22-14/h3-8,10H,1-2H3,(H,16,17,20)/t10-/m1/s1
• InChIKey: VULPIPBHGULUAT-SNVBAGLBSA-N
• XLogP: 3.62
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.44
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?

The IUPAC name of (2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (CID 94188894) is (2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for (2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?

The canonical SMILES for (2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3nccs3)o2)cc1.

What is the InChIKey of (2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?

The InChIKey is VULPIPBHGULUAT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-9-3-5-11(6-4-9)13-18-19-15(21-13)23-10(2)12(20)17-14-16-7-8-22-14/h3-8,10H,1-2H3,(H,16,17,20)/t10-/m1/s1.

What are the key properties of (2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?

(2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 346.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 94188894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).