(3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole

C24H32N6OS2 — CID 160788193

About (3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole

(3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole (PubChem CID 160788193) has the molecular formula C24H32N6OS2 and a molecular weight of 484.70 g/mol. Its IUPAC name is (3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole.

Molecular Properties

• Compound Name: (3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole
• PubChem CID: 160788193
• Molecular Formula: C24H32N6OS2
• Molecular Weight: 484.70 g/mol
• Exact Mass: 484.21
• IUPAC Name: (3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole
• SMILES: Cc1csc2cc(C(=O)N3CCNC(C)C3)[nH]c12.Cc1csc2cc(N3CCNCC3)[nH]c12
• InChI: InChI=1S/C13H17N3OS.C11H15N3S/c1-8-7-18-11-5-10(15-12(8)11)13(17)16-4-3-14-9(2)6-16;1-8-7-15-9-6-10(13-11(8)9)14-4-2-12-3-5-14/h5,7,9,14-15H,3-4,6H2,1-2H3;6-7,12-13H,2-5H2,1H3
• InChIKey: SBMJARWMYGDGRS-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 79.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.70
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole?

The IUPAC name of (3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole (CID 160788193) is (3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole.

What is the SMILES notation for (3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole?

The canonical SMILES for (3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole is Cc1csc2cc(C(=O)N3CCNC(C)C3)[nH]c12.Cc1csc2cc(N3CCNCC3)[nH]c12.

What is the InChIKey of (3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole?

The InChIKey is SBMJARWMYGDGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS.C11H15N3S/c1-8-7-18-11-5-10(15-12(8)11)13(17)16-4-3-14-9(2)6-16;1-8-7-15-9-6-10(13-11(8)9)14-4-2-12-3-5-14/h5,7,9,14-15H,3-4,6H2,1-2H3;6-7,12-13H,2-5H2,1H3.

What are the key properties of (3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole?

(3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole has a molecular weight of 484.70 g/mol, XLogP of 3.92, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanone;3-methyl-5-piperazin-1-yl-4H-thieno[3,2-b]pyrrole is sourced from PubChem (CID 160788193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).