2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide

C24H18N4O3S — CID 56552353

About 2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide

2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 56552353) has the molecular formula C24H18N4O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide
• PubChem CID: 56552353
• Molecular Formula: C24H18N4O3S
• Molecular Weight: 442.50 g/mol
• Exact Mass: 442.11
• IUPAC Name: 2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide
• SMILES: COc1ccccc1-c1cc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)n[nH]1
• InChI: InChI=1S/C24H18N4O3S/c1-30-18-11-6-5-10-16(18)17-14-20(28-27-17)25-23(29)22-21(15-8-3-2-4-9-15)26-24(32-22)19-12-7-13-31-19/h2-14H,1H3,(H2,25,27,28,29)
• InChIKey: PWTDPRSAAWHNTM-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 93.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.50
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide (CID 56552353) is 2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide is COc1ccccc1-c1cc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)n[nH]1.

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

The InChIKey is PWTDPRSAAWHNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S/c1-30-18-11-6-5-10-16(18)17-14-20(28-27-17)25-23(29)22-21(15-8-3-2-4-9-15)26-24(32-22)19-12-7-13-31-19/h2-14H,1H3,(H2,25,27,28,29).

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

2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56552353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).