N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

C23H22N4O2S — CID 55622447

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 55622447) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 55622447
• Molecular Formula: C23H22N4O2S
• Molecular Weight: 418.52 g/mol
• Exact Mass: 418.15
• IUPAC Name: N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
• SMILES: Cc1sc(-c2ccco2)nc1C(=O)NC1CCCc2c1cnn2Cc1ccccc1
• InChI: InChI=1S/C23H22N4O2S/c1-15-21(26-23(30-15)20-11-6-12-29-20)22(28)25-18-9-5-10-19-17(18)13-24-27(19)14-16-7-3-2-4-8-16/h2-4,6-8,11-13,18H,5,9-10,14H2,1H3,(H,25,28)
• InChIKey: NGIIRXAZSQNZAS-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.52
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 55622447) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccco2)nc1C(=O)NC1CCCc2c1cnn2Cc1ccccc1.

What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?

The InChIKey is NGIIRXAZSQNZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-15-21(26-23(30-15)20-11-6-12-29-20)22(28)25-18-9-5-10-19-17(18)13-24-27(19)14-16-7-3-2-4-8-16/h2-4,6-8,11-13,18H,5,9-10,14H2,1H3,(H,25,28).

What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide?

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55622447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).