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

C21H16N6OS2 — CID 141269245

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

1-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole (PubChem CID 141269245) has the molecular formula C21H16N6OS2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 1-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole
• PubChem CID: 141269245
• Molecular Formula: C21H16N6OS2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.08
• IUPAC Name: 1-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole
• SMILES: c1c[nH]c(S2(c3ccco3)C(c3ncc[nH]3)=NC(c3ccn[nH]3)=C2c2cccs2)c1
• InChI: InChI=1S/C21H16N6OS2/c1-5-16(22-8-1)30(17-6-2-12-28-17)19(15-4-3-13-29-15)18(14-7-9-25-27-14)26-21(30)20-23-10-11-24-20/h1-13,22H,(H,23,24)(H,25,27)
• InChIKey: IYJOAHKHOVPOET-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)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole?

The IUPAC name of 1-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole (CID 141269245) is 1-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole.

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

The canonical SMILES for 1-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole is c1c[nH]c(S2(c3ccco3)C(c3ncc[nH]3)=NC(c3ccn[nH]3)=C2c2cccs2)c1.

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

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

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

1-(furan-2-yl)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-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)-2-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 141269245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).