1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine

C69H80N12OS4 — CID 159167692

About 1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine

1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine (PubChem CID 159167692) has the molecular formula C69H80N12OS4 and a molecular weight of 1221.75 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine.

Molecular Properties

• Compound Name: 1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine
• PubChem CID: 159167692
• Molecular Formula: C69H80N12OS4
• Molecular Weight: 1221.75 g/mol
• Exact Mass: 1220.55
• IUPAC Name: 1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine
• SMILES: Cc1nc(-c2ccc(N3CCNCC3)cc2)cs1.c1cc(-c2ccc(N3CCNCC3)cc2)cs1.c1coc(-c2ccc(N3CCNCC3)cc2)c1.c1csc(-c2ccc(N3CCNCC3)cc2)c1.c1csc(-c2ccc(N3CCNCC3)cc2)n1
• InChI: InChI=1S/C14H17N3S.C14H16N2O.2C14H16N2S.C13H15N3S/c1-11-16-14(10-18-11)12-2-4-13(5-3-12)17-8-6-15-7-9-17;1-2-14(17-11-1)12-3-5-13(6-4-12)16-9-7-15-8-10-16;1-3-14(16-8-6-15-7-9-16)4-2-12(1)13-5-10-17-11-13;1-2-14(17-11-1)12-3-5-13(6-4-12)16-9-7-15-8-10-16;1-3-12(16-8-5-14-6-9-16)4-2-11(1)13-15-7-10-17-13/h2-5,10,15H,6-9H2,1H3;1-6,11,15H,7-10H2;1-5,10-11,15H,6-9H2;1-6,11,15H,7-10H2;1-4,7,10,14H,5-6,8-9H2
• InChIKey: KLHAPGFVZDDURR-UHFFFAOYSA-N
• XLogP: 12.75
• TPSA: 115.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1221.75
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine?

The IUPAC name of 1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine (CID 159167692) is 1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine.

What is the SMILES notation for 1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine?

The canonical SMILES for 1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine is Cc1nc(-c2ccc(N3CCNCC3)cc2)cs1.c1cc(-c2ccc(N3CCNCC3)cc2)cs1.c1coc(-c2ccc(N3CCNCC3)cc2)c1.c1csc(-c2ccc(N3CCNCC3)cc2)c1.c1csc(-c2ccc(N3CCNCC3)cc2)n1.

What is the InChIKey of 1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine?

The InChIKey is KLHAPGFVZDDURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S.C14H16N2O.2C14H16N2S.C13H15N3S/c1-11-16-14(10-18-11)12-2-4-13(5-3-12)17-8-6-15-7-9-17;1-2-14(17-11-1)12-3-5-13(6-4-12)16-9-7-15-8-10-16;1-3-14(16-8-6-15-7-9-16)4-2-12(1)13-5-10-17-11-13;1-2-14(17-11-1)12-3-5-13(6-4-12)16-9-7-15-8-10-16;1-3-12(16-8-5-14-6-9-16)4-2-11(1)13-15-7-10-17-13/h2-5,10,15H,6-9H2,1H3;1-6,11,15H,7-10H2;1-5,10-11,15H,6-9H2;1-6,11,15H,7-10H2;1-4,7,10,14H,5-6,8-9H2.

What are the key properties of 1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine?

1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine has a molecular weight of 1221.75 g/mol, XLogP of 12.75, 10 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(furan-2-yl)phenyl]piperazine;2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole;2-(4-piperazin-1-ylphenyl)-1,3-thiazole;1-(4-thiophen-2-ylphenyl)piperazine;1-(4-thiophen-3-ylphenyl)piperazine is sourced from PubChem (CID 159167692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).