3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole

C21H16N6OS2 — CID 141145252

About 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole

3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole (PubChem CID 141145252) has the molecular formula C21H16N6OS2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole.

Molecular Properties

• Compound Name: 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole
• PubChem CID: 141145252
• Molecular Formula: C21H16N6OS2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.08
• IUPAC Name: 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole
• SMILES: c1c[nH]c(S2(c3cccs3)N=C(c3ccco3)C(c3ccn[nH]3)=C2c2ncc[nH]2)c1
• InChI: InChI=1S/C21H16N6OS2/c1-5-16(22-8-1)30(17-6-3-13-29-17)20(21-23-10-11-24-21)18(14-7-9-25-26-14)19(27-30)15-4-2-12-28-15/h1-13,22H,(H,23,24)(H,25,26)
• InChIKey: JLWNSMJKCFAVFG-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 98.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole?

The IUPAC name of 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole (CID 141145252) is 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole.

What is the SMILES notation for 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole?

The canonical SMILES for 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole is c1c[nH]c(S2(c3cccs3)N=C(c3ccco3)C(c3ccn[nH]3)=C2c2ncc[nH]2)c1.

What is the InChIKey of 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole?

The InChIKey is JLWNSMJKCFAVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6OS2/c1-5-16(22-8-1)30(17-6-3-13-29-17)20(21-23-10-11-24-21)18(14-7-9-25-26-14)19(27-30)15-4-2-12-28-15/h1-13,22H,(H,23,24)(H,25,26).

What are the key properties of 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole?

3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole has a molecular weight of 432.53 g/mol, XLogP of 5.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,2-thiazole is sourced from PubChem (CID 141145252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).