N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide

C21H23N3O2S2 — CID 37389412

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide (PubChem CID 37389412) has the molecular formula C21H23N3O2S2 and a molecular weight of 413.57 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
• PubChem CID: 37389412
• Molecular Formula: C21H23N3O2S2
• Molecular Weight: 413.57 g/mol
• Exact Mass: 413.12
• IUPAC Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
• SMILES: CC(=O)NCc1ccc(-c2nc(NC(=O)CCc3ccc(C)cc3)sc2C)s1
• InChI: InChI=1S/C21H23N3O2S2/c1-13-4-6-16(7-5-13)8-11-19(26)23-21-24-20(14(2)27-21)18-10-9-17(28-18)12-22-15(3)25/h4-7,9-10H,8,11-12H2,1-3H3,(H,22,25)(H,23,24,26)
• InChIKey: DZBPHISALXQBHK-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.57
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide (CID 37389412) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide is CC(=O)NCc1ccc(-c2nc(NC(=O)CCc3ccc(C)cc3)sc2C)s1.

What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide?

The InChIKey is DZBPHISALXQBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S2/c1-13-4-6-16(7-5-13)8-11-19(26)23-21-24-20(14(2)27-21)18-10-9-17(28-18)12-22-15(3)25/h4-7,9-10H,8,11-12H2,1-3H3,(H,22,25)(H,23,24,26).

What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide?

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide has a molecular weight of 413.57 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 37389412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).