N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide

C19H16N4O3S — CID 72628252

About N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide

N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide (PubChem CID 72628252) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide
• PubChem CID: 72628252
• Molecular Formula: C19H16N4O3S
• Molecular Weight: 380.43 g/mol
• Exact Mass: 380.09
• IUPAC Name: N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide
• SMILES: COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(C=Cc3nccs3)c12
• InChI: InChI=1S/C19H16N4O3S/c1-25-18-13(19(24)21-11-12-3-2-9-26-12)4-5-14-17(18)15(23-22-14)6-7-16-20-8-10-27-16/h2-10H,11H2,1H3,(H,21,24)(H,22,23)
• InChIKey: JXKKBIWRVFJKBO-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 93.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.43
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide?

The IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide (CID 72628252) is N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide?

The canonical SMILES for N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(C=Cc3nccs3)c12.

What is the InChIKey of N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide?

The InChIKey is JXKKBIWRVFJKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-25-18-13(19(24)21-11-12-3-2-9-26-12)4-5-14-17(18)15(23-22-14)6-7-16-20-8-10-27-16/h2-10H,11H2,1H3,(H,21,24)(H,22,23).

What are the key properties of N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide?

N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-4-methoxy-3-[2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 72628252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).