N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

C21H21ClN4O2S2 — CID 24594565

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 24594565) has the molecular formula C21H21ClN4O2S2 and a molecular weight of 461.01 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
• PubChem CID: 24594565
• Molecular Formula: C21H21ClN4O2S2
• Molecular Weight: 461.01 g/mol
• Exact Mass: 460.08
• IUPAC Name: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
• SMILES: O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ncc(Cc2ccccc2Cl)s1
• InChI: InChI=1S/C21H21ClN4O2S2/c22-17-5-2-1-4-15(17)12-16-13-23-21(30-16)24-19(27)14-25-7-9-26(10-8-25)20(28)18-6-3-11-29-18/h1-6,11,13H,7-10,12,14H2,(H,23,24,27)
• InChIKey: BMINFAADRUGGQJ-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.01
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?

The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 24594565) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide.

What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?

The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ncc(Cc2ccccc2Cl)s1.

What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?

The InChIKey is BMINFAADRUGGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2S2/c22-17-5-2-1-4-15(17)12-16-13-23-21(30-16)24-19(27)14-25-7-9-26(10-8-25)20(28)18-6-3-11-29-18/h1-6,11,13H,7-10,12,14H2,(H,23,24,27).

What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide?

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 461.01 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24594565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).