N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide

C18H20BrN5O2S2 — CID 2877340

About N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide

N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide (PubChem CID 2877340) has the molecular formula C18H20BrN5O2S2 and a molecular weight of 482.43 g/mol. Its IUPAC name is N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide.

Molecular Properties

• Compound Name: N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide
• PubChem CID: 2877340
• Molecular Formula: C18H20BrN5O2S2
• Molecular Weight: 482.43 g/mol
• Exact Mass: 481.02
• IUPAC Name: N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide
• SMILES: Br.CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(NC(C)=O)cc3)n2)s1
• InChI: InChI=1S/C18H19N5O2S2.BrH/c1-4-15(25)23-18-19-10(2)16(27-18)14-9-26-17(22-14)21-13-7-5-12(6-8-13)20-11(3)24;/h5-9H,4H2,1-3H3,(H,20,24)(H,21,22)(H,19,23,25);1H
• InChIKey: OUQDAZMWDXFFTI-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 96.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.43
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide?

The IUPAC name of N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide (CID 2877340) is N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide.

What is the SMILES notation for N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide?

The canonical SMILES for N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide is Br.CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(NC(C)=O)cc3)n2)s1.

What is the InChIKey of N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide?

The InChIKey is OUQDAZMWDXFFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S2.BrH/c1-4-15(25)23-18-19-10(2)16(27-18)14-9-26-17(22-14)21-13-7-5-12(6-8-13)20-11(3)24;/h5-9H,4H2,1-3H3,(H,20,24)(H,21,22)(H,19,23,25);1H.

What are the key properties of N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide?

N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide has a molecular weight of 482.43 g/mol, XLogP of 5.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide is sourced from PubChem (CID 2877340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).