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

C21H16N6OS2 — CID 141360161

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

1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole (PubChem CID 141360161) has the molecular formula C21H16N6OS2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole
• PubChem CID: 141360161
• Molecular Formula: C21H16N6OS2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.08
• IUPAC Name: 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole
• SMILES: c1c[nH]c(C2=C(c3ncc[nH]3)N=C(c3ccn[nH]3)S2(c2ccco2)c2cccs2)c1
• InChI: InChI=1S/C21H16N6OS2/c1-4-14(22-8-1)19-18(20-23-10-11-24-20)26-21(15-7-9-25-27-15)30(19,16-5-2-12-28-16)17-6-3-13-29-17/h1-13,22H,(H,23,24)(H,25,27)
• InChIKey: KHXPRWHOEDCEJE-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 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole?

The IUPAC name of 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole (CID 141360161) is 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole.

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

The canonical SMILES for 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole is c1c[nH]c(C2=C(c3ncc[nH]3)N=C(c3ccn[nH]3)S2(c2ccco2)c2cccs2)c1.

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

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

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

1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-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 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 141360161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).