4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

C₁₃H₁₇N₃S₂ — CID 113345871

About 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole (PubChem CID 113345871) has the molecular formula C₁₃H₁₇N₃S₂ and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
• PubChem CID: 113345871
• Molecular Formula: C₁₃H₁₇N₃S₂
• Molecular Weight: 279.43 g/mol
• Exact Mass: 279.09
• IUPAC Name: 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
• SMILES: C[C@@H]1CN(Cc2csc(-c3ccsc3)n2)CCN1
• InChI: InChI=1S/C13H17N3S2/c1-10-6-16(4-3-14-10)7-12-9-18-13(15-12)11-2-5-17-8-11/h2,5,8-10,14H,3-4,6-7H2,1H3/t10-/m1/s1
• InChIKey: STCSSXQCJYZPAX-SNVBAGLBSA-N
• XLogP: 2.67
• TPSA: 28.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.43
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?

The IUPAC name of 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole (CID 113345871) is 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole.

What is the SMILES notation for 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?

The canonical SMILES for 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole is C[C@@H]1CN(Cc2csc(-c3ccsc3)n2)CCN1.

What is the InChIKey of 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?

The InChIKey is STCSSXQCJYZPAX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-10-6-16(4-3-14-10)7-12-9-18-13(15-12)11-2-5-17-8-11/h2,5,8-10,14H,3-4,6-7H2,1H3/t10-/m1/s1.

What are the key properties of 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?

4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 279.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 113345871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 113345871 — identifiers, structure, computed properties (public domain)

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