N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide

C23H30N4O3S2 — CID 22006964

About N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide (PubChem CID 22006964) has the molecular formula C23H30N4O3S2 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide
• PubChem CID: 22006964
• Molecular Formula: C23H30N4O3S2
• Molecular Weight: 474.65 g/mol
• Exact Mass: 474.18
• IUPAC Name: N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide
• SMILES: CC(NCCO)c1ccc(CC(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)cc1
• InChI: InChI=1S/C23H30N4O3S2/c1-15(24-9-10-28)17-7-5-16(6-8-17)11-19(29)27-22-26-13-21(32-22)31-14-20-25-12-18(30-20)23(2,3)4/h5-8,12-13,15,24,28H,9-11,14H2,1-4H3,(H,26,27,29)
• InChIKey: WEKXTPDQZKZZEC-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 100.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.65
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide?

The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide (CID 22006964) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide.

What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide?

The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide is CC(NCCO)c1ccc(CC(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)cc1.

What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide?

The InChIKey is WEKXTPDQZKZZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S2/c1-15(24-9-10-28)17-7-5-16(6-8-17)11-19(29)27-22-26-13-21(32-22)31-14-20-25-12-18(30-20)23(2,3)4/h5-8,12-13,15,24,28H,9-11,14H2,1-4H3,(H,26,27,29).

What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide?

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide has a molecular weight of 474.65 g/mol, XLogP of 4.55, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 22006964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).