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

C19H21N5OS2 — CID 30485889

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

2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 30485889) has the molecular formula C19H21N5OS2 and a molecular weight of 399.55 g/mol. Its IUPAC name is 2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 30485889
• Molecular Formula: C19H21N5OS2
• Molecular Weight: 399.55 g/mol
• Exact Mass: 399.12
• IUPAC Name: 2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(CN1CCN(Cc2nc(-c3ccccc3)cs2)CC1)Nc1nccs1
• InChI: InChI=1S/C19H21N5OS2/c25-17(22-19-20-6-11-26-19)12-23-7-9-24(10-8-23)13-18-21-16(14-27-18)15-4-2-1-3-5-15/h1-6,11,14H,7-10,12-13H2,(H,20,22,25)
• InChIKey: LHDZZUAKXQZRBF-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.55
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 30485889) is 2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

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

The canonical SMILES for 2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCN(Cc2nc(-c3ccccc3)cs2)CC1)Nc1nccs1.

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

The InChIKey is LHDZZUAKXQZRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS2/c25-17(22-19-20-6-11-26-19)12-23-7-9-24(10-8-23)13-18-21-16(14-27-18)15-4-2-1-3-5-15/h1-6,11,14H,7-10,12-13H2,(H,20,22,25).

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

2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 399.55 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 30485889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).