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

C37H28N6OS2 — CID 141006443

About 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1-naphthalen-1-yl-1-phenyl-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)-1-naphthalen-1-yl-1-phenyl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole (PubChem CID 141006443) has the molecular formula C37H28N6OS2 and a molecular weight of 636.81 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1-naphthalen-1-yl-1-phenyl-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)-1-naphthalen-1-yl-1-phenyl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole
• PubChem CID: 141006443
• Molecular Formula: C37H28N6OS2
• Molecular Weight: 636.81 g/mol
• Exact Mass: 636.18
• IUPAC Name: 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1-naphthalen-1-yl-1-phenyl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole
• SMILES: c1ccc(S2(c3ccco3)(c3cccs3)(c3cccc4ccccc34)C(c3ccn[nH]3)=NC(c3ncc[nH]3)=C2c2ccc[nH]2)cc1
• InChI: InChI=1S/C37H28N6OS2/c1-2-12-27(13-3-1)46(32-17-8-24-44-32,33-18-9-25-45-33,31-16-6-11-26-10-4-5-14-28(26)31)35(29-15-7-20-38-29)34(36-39-22-23-40-36)42-37(46)30-19-21-41-43-30/h1-25,38H,(H,39,40)(H,41,43)
• InChIKey: UQSMUGPQXPORMK-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 98.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.81
LogP ≤ 5	9.67
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)-1-naphthalen-1-yl-1-phenyl-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)-1-naphthalen-1-yl-1-phenyl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole (CID 141006443) is 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1-naphthalen-1-yl-1-phenyl-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)-1-naphthalen-1-yl-1-phenyl-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)-1-naphthalen-1-yl-1-phenyl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole is c1ccc(S2(c3ccco3)(c3cccs3)(c3cccc4ccccc34)C(c3ccn[nH]3)=NC(c3ncc[nH]3)=C2c2ccc[nH]2)cc1.

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

The InChIKey is UQSMUGPQXPORMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N6OS2/c1-2-12-27(13-3-1)46(32-17-8-24-44-32,33-18-9-25-45-33,31-16-6-11-26-10-4-5-14-28(26)31)35(29-15-7-20-38-29)34(36-39-22-23-40-36)42-37(46)30-19-21-41-43-30/h1-25,38H,(H,39,40)(H,41,43).

What are the key properties of 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-1-naphthalen-1-yl-1-phenyl-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)-1-naphthalen-1-yl-1-phenyl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole has a molecular weight of 636.81 g/mol, XLogP of 9.67, 7 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)-1-naphthalen-1-yl-1-phenyl-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 141006443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).