3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide

C20H24N4O2S2 — CID 87955349

About 3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide

3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide (PubChem CID 87955349) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide.

Molecular Properties

• Compound Name: 3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide
• PubChem CID: 87955349
• Molecular Formula: C20H24N4O2S2
• Molecular Weight: 416.57 g/mol
• Exact Mass: 416.13
• IUPAC Name: 3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide
• SMILES: CC(C)(C)c1cnc(CSc2cnc(NC(=O)C(CN)c3ccccc3)s2)o1
• InChI: InChI=1S/C20H24N4O2S2/c1-20(2,3)15-10-22-16(26-15)12-27-17-11-23-19(28-17)24-18(25)14(9-21)13-7-5-4-6-8-13/h4-8,10-11,14H,9,12,21H2,1-3H3,(H,23,24,25)
• InChIKey: IMDZKYBRXMZYJU-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 94.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.57
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide?

The IUPAC name of 3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide (CID 87955349) is 3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide.

What is the SMILES notation for 3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide?

The canonical SMILES for 3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide is CC(C)(C)c1cnc(CSc2cnc(NC(=O)C(CN)c3ccccc3)s2)o1.

What is the InChIKey of 3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide?

The InChIKey is IMDZKYBRXMZYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c1-20(2,3)15-10-22-16(26-15)12-27-17-11-23-19(28-17)24-18(25)14(9-21)13-7-5-4-6-8-13/h4-8,10-11,14H,9,12,21H2,1-3H3,(H,23,24,25).

What are the key properties of 3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide?

3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide has a molecular weight of 416.57 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-phenylpropanamide is sourced from PubChem (CID 87955349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).