tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C22H22FN3O4S — CID 24631608

About tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 24631608) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
• PubChem CID: 24631608
• Molecular Formula: C22H22FN3O4S
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.13
• IUPAC Name: tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccc(-c4ccccc4F)o3)sc2C1
• InChI: InChI=1S/C22H22FN3O4S/c1-22(2,3)30-21(28)26-11-10-15-18(12-26)31-20(24-15)25-19(27)17-9-8-16(29-17)13-6-4-5-7-14(13)23/h4-9H,10-12H2,1-3H3,(H,24,25,27)
• InChIKey: JYSJJMSKOHXOSZ-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?

The IUPAC name of tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 24631608) is tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

What is the SMILES notation for tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?

The canonical SMILES for tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccc(-c4ccccc4F)o3)sc2C1.

What is the InChIKey of tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?

The InChIKey is JYSJJMSKOHXOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c1-22(2,3)30-21(28)26-11-10-15-18(12-26)31-20(24-15)25-19(27)17-9-8-16(29-17)13-6-4-5-7-14(13)23/h4-9H,10-12H2,1-3H3,(H,24,25,27).

What are the key properties of tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?

tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 443.50 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 24631608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).