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

C20H15N7OS2 — CID 140996446

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

1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazole (PubChem CID 140996446) has the molecular formula C20H15N7OS2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazole.

Molecular Properties

• Compound Name: 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazole
• PubChem CID: 140996446
• Molecular Formula: C20H15N7OS2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.08
• IUPAC Name: 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazole
• SMILES: c1c[nH]c(S2(c3ccco3)N=C(c3nccs3)C(c3ncc[nH]3)=C2c2ccn[nH]2)c1
• InChI: InChI=1S/C20H15N7OS2/c1-3-14(21-6-1)30(15-4-2-11-28-15)18(13-5-7-25-26-13)16(19-22-8-9-23-19)17(27-30)20-24-10-12-29-20/h1-12,21H,(H,22,23)(H,25,26)
• InChIKey: YMFHUHGIUPCTRM-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 111.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazole (CID 140996446) is 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazole.

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

The canonical SMILES for 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazole is c1c[nH]c(S2(c3ccco3)N=C(c3nccs3)C(c3ncc[nH]3)=C2c2ccn[nH]2)c1.

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

The InChIKey is YMFHUHGIUPCTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7OS2/c1-3-14(21-6-1)30(15-4-2-11-28-15)18(13-5-7-25-26-13)16(19-22-8-9-23-19)17(27-30)20-24-10-12-29-20/h1-12,21H,(H,22,23)(H,25,26).

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

1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazole has a molecular weight of 433.52 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazole is sourced from PubChem (CID 140996446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).