N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide

C25H20FN3O3S — CID 139330598

About N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide

N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (PubChem CID 139330598) has the molecular formula C25H20FN3O3S and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
• PubChem CID: 139330598
• Molecular Formula: C25H20FN3O3S
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.12
• IUPAC Name: N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
• SMILES: O=C1CCC(C(=O)Nc2ncc(-c3ccc(OCc4ccccc4)cc3F)s2)n2cccc21
• InChI: InChI=1S/C25H20FN3O3S/c26-19-13-17(32-15-16-5-2-1-3-6-16)8-9-18(19)23-14-27-25(33-23)28-24(31)21-10-11-22(30)20-7-4-12-29(20)21/h1-9,12-14,21H,10-11,15H2,(H,27,28,31)
• InChIKey: ZEWNLUMFQMWWTL-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?

The IUPAC name of N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (CID 139330598) is N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.

What is the SMILES notation for N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?

The canonical SMILES for N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide is O=C1CCC(C(=O)Nc2ncc(-c3ccc(OCc4ccccc4)cc3F)s2)n2cccc21.

What is the InChIKey of N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?

The InChIKey is ZEWNLUMFQMWWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3S/c26-19-13-17(32-15-16-5-2-1-3-6-16)8-9-18(19)23-14-27-25(33-23)28-24(31)21-10-11-22(30)20-7-4-12-29(20)21/h1-9,12-14,21H,10-11,15H2,(H,27,28,31).

What are the key properties of N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?

N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide is sourced from PubChem (CID 139330598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).