2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C22H25ClN4O3S2 — CID 29415371

About 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 29415371) has the molecular formula C22H25ClN4O3S2 and a molecular weight of 493.05 g/mol. Its IUPAC name is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 29415371
• Molecular Formula: C22H25ClN4O3S2
• Molecular Weight: 493.05 g/mol
• Exact Mass: 492.11
• IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
• SMILES: COc1ccc(-c2csc(NC(=O)CN3CCN(Cc4ccc(Cl)s4)CC3)n2)c(OC)c1
• InChI: InChI=1S/C22H25ClN4O3S2/c1-29-15-3-5-17(19(11-15)30-2)18-14-31-22(24-18)25-21(28)13-27-9-7-26(8-10-27)12-16-4-6-20(23)32-16/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,24,25,28)
• InChIKey: JSRYWWRKSNMDHF-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 66.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.05
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 29415371) is 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

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

The canonical SMILES for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)CN3CCN(Cc4ccc(Cl)s4)CC3)n2)c(OC)c1.

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

The InChIKey is JSRYWWRKSNMDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3S2/c1-29-15-3-5-17(19(11-15)30-2)18-14-31-22(24-18)25-21(28)13-27-9-7-26(8-10-27)12-16-4-6-20(23)32-16/h3-6,11,14H,7-10,12-13H2,1-2H3,(H,24,25,28).

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

2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 493.05 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 29415371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).