N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide

C21H24N4O3S — CID 24608984

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide (PubChem CID 24608984) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
• PubChem CID: 24608984
• Molecular Formula: C21H24N4O3S
• Molecular Weight: 412.52 g/mol
• Exact Mass: 412.16
• IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
• SMILES: CC(C)Cc1ccc(-c2cnc(CCC(=O)Nc3nc(CC(N)=O)cs3)o2)cc1
• InChI: InChI=1S/C21H24N4O3S/c1-13(2)9-14-3-5-15(6-4-14)17-11-23-20(28-17)8-7-19(27)25-21-24-16(12-29-21)10-18(22)26/h3-6,11-13H,7-10H2,1-2H3,(H2,22,26)(H,24,25,27)
• InChIKey: LFLUOXFUXPORKJ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 111.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.52
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?

The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide (CID 24608984) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide.

What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?

The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide is CC(C)Cc1ccc(-c2cnc(CCC(=O)Nc3nc(CC(N)=O)cs3)o2)cc1.

What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?

The InChIKey is LFLUOXFUXPORKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-13(2)9-14-3-5-15(6-4-14)17-11-23-20(28-17)8-7-19(27)25-21-24-16(12-29-21)10-18(22)26/h3-6,11-13H,7-10H2,1-2H3,(H2,22,26)(H,24,25,27).

What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide?

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide has a molecular weight of 412.52 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 24608984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).