N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C27H30F2N4O2S — CID 24804908

About N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 24804908) has the molecular formula C27H30F2N4O2S and a molecular weight of 512.63 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• PubChem CID: 24804908
• Molecular Formula: C27H30F2N4O2S
• Molecular Weight: 512.63 g/mol
• Exact Mass: 512.21
• IUPAC Name: N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• SMILES: CC1CCCN1CCCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(F)cc2F)CC3)cc1
• InChI: InChI=1S/C27H30F2N4O2S/c1-18-4-2-12-32(18)13-3-15-35-21-8-5-19(6-9-21)26-30-24-11-14-33(17-25(24)36-26)27(34)31-23-10-7-20(28)16-22(23)29/h5-10,16,18H,2-4,11-15,17H2,1H3,(H,31,34)
• InChIKey: LLGHKUHTWDRKML-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.63
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

The IUPAC name of N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 24804908) is N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

What is the SMILES notation for N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

The canonical SMILES for N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is CC1CCCN1CCCOc1ccc(-c2nc3c(s2)CN(C(=O)Nc2ccc(F)cc2F)CC3)cc1.

What is the InChIKey of N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

The InChIKey is LLGHKUHTWDRKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N4O2S/c1-18-4-2-12-32(18)13-3-15-35-21-8-5-19(6-9-21)26-30-24-11-14-33(17-25(24)36-26)27(34)31-23-10-7-20(28)16-22(23)29/h5-10,16,18H,2-4,11-15,17H2,1H3,(H,31,34).

What are the key properties of N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 512.63 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluorophenyl)-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 24804908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).