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

C21H22N4O3S — CID 90531763

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

N-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (PubChem CID 90531763) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
• PubChem CID: 90531763
• Molecular Formula: C21H22N4O3S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.14
• IUPAC Name: N-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide
• SMILES: Cc1ccc(CNC(=O)CN2CCc3nc(NC(=O)c4ccoc4)sc3C2)cc1
• InChI: InChI=1S/C21H22N4O3S/c1-14-2-4-15(5-3-14)10-22-19(26)12-25-8-6-17-18(11-25)29-21(23-17)24-20(27)16-7-9-28-13-16/h2-5,7,9,13H,6,8,10-12H2,1H3,(H,22,26)(H,23,24,27)
• InChIKey: UGTJILPDPQPQKN-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 87.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide (CID 90531763) is N-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-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-[(4-methylphenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide?

The canonical SMILES for N-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is Cc1ccc(CNC(=O)CN2CCc3nc(NC(=O)c4ccoc4)sc3C2)cc1.

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

The InChIKey is UGTJILPDPQPQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-14-2-4-15(5-3-14)10-22-19(26)12-25-8-6-17-18(11-25)29-21(23-17)24-20(27)16-7-9-28-13-16/h2-5,7,9,13H,6,8,10-12H2,1H3,(H,22,26)(H,23,24,27).

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

N-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-3-carboxamide is sourced from PubChem (CID 90531763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).