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

C27H22N10OS2 — CID 141314472

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

2-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)pyrazolidin-3-yl]-1,3-thiazole (PubChem CID 141314472) has the molecular formula C27H22N10OS2 and a molecular weight of 566.68 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)pyrazolidin-3-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)pyrazolidin-3-yl]-1,3-thiazole
• PubChem CID: 141314472
• Molecular Formula: C27H22N10OS2
• Molecular Weight: 566.68 g/mol
• Exact Mass: 566.14
• IUPAC Name: 2-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)pyrazolidin-3-yl]-1,3-thiazole
• SMILES: c1c[nH]c(C2(c3ccc[nH]3)N(c3ncc[nH]3)N(c3ccn[nH]3)C(c3nccs3)C2(c2ccsn2)c2ccco2)c1
• InChI: InChI=1S/C27H22N10OS2/c1-4-19(28-9-1)27(20-5-2-10-29-20)26(18-8-16-40-35-18,21-6-3-15-38-21)23(24-30-14-17-39-24)36(22-7-11-33-34-22)37(27)25-31-12-13-32-25/h1-17,23,28-29H,(H,31,32)(H,33,34)
• InChIKey: PJLCKQGFYHGFDG-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 134.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.68
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)pyrazolidin-3-yl]-1,3-thiazole (CID 141314472) is 2-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)pyrazolidin-3-yl]-1,3-thiazole.

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

The canonical SMILES for 2-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)pyrazolidin-3-yl]-1,3-thiazole is c1c[nH]c(C2(c3ccc[nH]3)N(c3ncc[nH]3)N(c3ccn[nH]3)C(c3nccs3)C2(c2ccsn2)c2ccco2)c1.

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

The InChIKey is PJLCKQGFYHGFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N10OS2/c1-4-19(28-9-1)27(20-5-2-10-29-20)26(18-8-16-40-35-18,21-6-3-15-38-21)23(24-30-14-17-39-24)36(22-7-11-33-34-22)37(27)25-31-12-13-32-25/h1-17,23,28-29H,(H,31,32)(H,33,34).

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

2-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)pyrazolidin-3-yl]-1,3-thiazole has a molecular weight of 566.68 g/mol, XLogP of 5.21, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5,5-bis(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)pyrazolidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 141314472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).