N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide

C18H20ClN5O3S — CID 83279349

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide (PubChem CID 83279349) has the molecular formula C18H20ClN5O3S and a molecular weight of 421.91 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
• PubChem CID: 83279349
• Molecular Formula: C18H20ClN5O3S
• Molecular Weight: 421.91 g/mol
• Exact Mass: 421.10
• IUPAC Name: N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
• SMILES: CC(=O)N1CCN(C(=O)CNC(=O)c2csc(Nc3ccccc3Cl)n2)CC1
• InChI: InChI=1S/C18H20ClN5O3S/c1-12(25)23-6-8-24(9-7-23)16(26)10-20-17(27)15-11-28-18(22-15)21-14-5-3-2-4-13(14)19/h2-5,11H,6-10H2,1H3,(H,20,27)(H,21,22)
• InChIKey: KCTSTLNAMCZZRL-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.91
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide (CID 83279349) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide is CC(=O)N1CCN(C(=O)CNC(=O)c2csc(Nc3ccccc3Cl)n2)CC1.

What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide?

The InChIKey is KCTSTLNAMCZZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3S/c1-12(25)23-6-8-24(9-7-23)16(26)10-20-17(27)15-11-28-18(22-15)21-14-5-3-2-4-13(14)19/h2-5,11H,6-10H2,1H3,(H,20,27)(H,21,22).

What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide?

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 421.91 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 83279349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).