N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C18H15FN6O2S — CID 71788084

About N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 71788084) has the molecular formula C18H15FN6O2S and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• PubChem CID: 71788084
• Molecular Formula: C18H15FN6O2S
• Molecular Weight: 398.42 g/mol
• Exact Mass: 398.10
• IUPAC Name: N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccccc1F)CC2)c1cnccn1
• InChI: InChI=1S/C18H15FN6O2S/c19-11-3-1-2-4-12(11)23-18(27)25-8-5-13-15(10-25)28-17(22-13)24-16(26)14-9-20-6-7-21-14/h1-4,6-7,9H,5,8,10H2,(H,23,27)(H,22,24,26)
• InChIKey: HQZCWEVCCOIXRQ-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 100.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.42
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

The IUPAC name of N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 71788084) is N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

What is the SMILES notation for N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

The canonical SMILES for N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)Nc1ccccc1F)CC2)c1cnccn1.

What is the InChIKey of N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

The InChIKey is HQZCWEVCCOIXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2S/c19-11-3-1-2-4-12(11)23-18(27)25-8-5-13-15(10-25)28-17(22-13)24-16(26)14-9-20-6-7-21-14/h1-4,6-7,9H,5,8,10H2,(H,23,27)(H,22,24,26).

What are the key properties of N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?

N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 71788084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).