N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide

C21H15N5O2S2 — CID 90571069

About N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 90571069) has the molecular formula C21H15N5O2S2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
• PubChem CID: 90571069
• Molecular Formula: C21H15N5O2S2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.07
• IUPAC Name: N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
• SMILES: Cc1cc(NC(=O)c2csc(-c3ccccc3)n2)n(-c2nc(-c3ccco3)cs2)n1
• InChI: InChI=1S/C21H15N5O2S2/c1-13-10-18(26(25-13)21-23-15(11-30-21)17-8-5-9-28-17)24-19(27)16-12-29-20(22-16)14-6-3-2-4-7-14/h2-12H,1H3,(H,24,27)
• InChIKey: HZTQGVYGQUBLHA-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 90571069) is N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2csc(-c3ccccc3)n2)n(-c2nc(-c3ccco3)cs2)n1.

What is the InChIKey of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide?

The InChIKey is HZTQGVYGQUBLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2S2/c1-13-10-18(26(25-13)21-23-15(11-30-21)17-8-5-9-28-17)24-19(27)16-12-29-20(22-16)14-6-3-2-4-7-14/h2-12H,1H3,(H,24,27).

What are the key properties of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide?

N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90571069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).