4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide

C24H24FN5O5S — CID 25308441

About 4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 25308441) has the molecular formula C24H24FN5O5S and a molecular weight of 513.55 g/mol. Its IUPAC name is 4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
• PubChem CID: 25308441
• Molecular Formula: C24H24FN5O5S
• Molecular Weight: 513.55 g/mol
• Exact Mass: 513.15
• IUPAC Name: 4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide
• SMILES: NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N
• InChI: InChI=1S/C24H24FN5O5S/c25-14-3-1-4-15(11-14)30(24(34)21-18(26)19(22(27)32)29-36-21)20(13-6-8-16(31)9-7-13)23(33)28-12-17-5-2-10-35-17/h1,3-4,6-9,11,17,20,31H,2,5,10,12,26H2,(H2,27,32)(H,28,33)/t17-,20-/m1/s1
• InChIKey: VWDJQIVHZARORL-YLJYHZDGSA-N
• XLogP: 2.35
• TPSA: 160.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.55
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide?

The IUPAC name of 4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide (CID 25308441) is 4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide.

What is the SMILES notation for 4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide?

The canonical SMILES for 4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide is NC(=O)c1nsc(C(=O)N(c2cccc(F)c2)[C@@H](C(=O)NC[C@H]2CCCO2)c2ccc(O)cc2)c1N.

What is the InChIKey of 4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide?

The InChIKey is VWDJQIVHZARORL-YLJYHZDGSA-N. The full InChI is InChI=1S/C24H24FN5O5S/c25-14-3-1-4-15(11-14)30(24(34)21-18(26)19(22(27)32)29-36-21)20(13-6-8-16(31)9-7-13)23(33)28-12-17-5-2-10-35-17/h1,3-4,6-9,11,17,20,31H,2,5,10,12,26H2,(H2,27,32)(H,28,33)/t17-,20-/m1/s1.

What are the key properties of 4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide?

4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 513.55 g/mol, XLogP of 2.35, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-N-(3-fluorophenyl)-5-N-[(1R)-1-(4-hydroxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 25308441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).