2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide

C23H20N4O2S — CID 56564169

About 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide (PubChem CID 56564169) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide
• PubChem CID: 56564169
• Molecular Formula: C23H20N4O2S
• Molecular Weight: 416.51 g/mol
• Exact Mass: 416.13
• IUPAC Name: 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide
• SMILES: CC1Cc2ccccc2N1Cc1occc1C(=O)Nc1nc(-c2cccnc2)cs1
• InChI: InChI=1S/C23H20N4O2S/c1-15-11-16-5-2-3-7-20(16)27(15)13-21-18(8-10-29-21)22(28)26-23-25-19(14-30-23)17-6-4-9-24-12-17/h2-10,12,14-15H,11,13H2,1H3,(H,25,26,28)
• InChIKey: QUVLTHYYHKRVHG-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.51
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide?

The IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide (CID 56564169) is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide.

What is the SMILES notation for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide?

The canonical SMILES for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide is CC1Cc2ccccc2N1Cc1occc1C(=O)Nc1nc(-c2cccnc2)cs1.

What is the InChIKey of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide?

The InChIKey is QUVLTHYYHKRVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-15-11-16-5-2-3-7-20(16)27(15)13-21-18(8-10-29-21)22(28)26-23-25-19(14-30-23)17-6-4-9-24-12-17/h2-10,12,14-15H,11,13H2,1H3,(H,25,26,28).

What are the key properties of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide?

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)furan-3-carboxamide is sourced from PubChem (CID 56564169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).