N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

C22H20N4O3S — CID 90531511

About N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide

N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 90531511) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
• PubChem CID: 90531511
• Molecular Formula: C22H20N4O3S
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.13
• IUPAC Name: N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
• SMILES: Cn1cc(CC(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)c2ccccc21
• InChI: InChI=1S/C22H20N4O3S/c1-25-11-15(16-4-2-3-5-18(16)25)10-20(27)26-8-6-17-19(12-26)30-22(23-17)24-21(28)14-7-9-29-13-14/h2-5,7,9,11,13H,6,8,10,12H2,1H3,(H,23,24,28)
• InChIKey: ZELADXAIUUUUKX-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

The IUPAC name of N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 90531511) is N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

What is the SMILES notation for N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

The canonical SMILES for N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is Cn1cc(CC(=O)N2CCc3nc(NC(=O)c4ccoc4)sc3C2)c2ccccc21.

What is the InChIKey of N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

The InChIKey is ZELADXAIUUUUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-25-11-15(16-4-2-3-5-18(16)25)10-20(27)26-8-6-17-19(12-26)30-22(23-17)24-21(28)14-7-9-29-13-14/h2-5,7,9,11,13H,6,8,10,12H2,1H3,(H,23,24,28).

What are the key properties of N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(1-methylindol-3-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 90531511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).