2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide

C25H20F2N4O3S2 — CID 176679536

About 2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide

2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide (PubChem CID 176679536) has the molecular formula C25H20F2N4O3S2 and a molecular weight of 526.59 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 176679536
• Molecular Formula: C25H20F2N4O3S2
• Molecular Weight: 526.59 g/mol
• Exact Mass: 526.09
• IUPAC Name: 2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide
• SMILES: O=C(CNC(=O)c1cnc(-c2cccc(F)c2)s1)NC(CCc1ccc(F)cc1)C(=O)c1nccs1
• InChI: InChI=1S/C25H20F2N4O3S2/c26-17-7-4-15(5-8-17)6-9-19(22(33)25-28-10-11-35-25)31-21(32)14-29-23(34)20-13-30-24(36-20)16-2-1-3-18(27)12-16/h1-5,7-8,10-13,19H,6,9,14H2,(H,29,34)(H,31,32)
• InChIKey: OXWXSFGTZANIPO-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 101.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.59
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide (CID 176679536) is 2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide is O=C(CNC(=O)c1cnc(-c2cccc(F)c2)s1)NC(CCc1ccc(F)cc1)C(=O)c1nccs1.

What is the InChIKey of 2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is OXWXSFGTZANIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O3S2/c26-17-7-4-15(5-8-17)6-9-19(22(33)25-28-10-11-35-25)31-21(32)14-29-23(34)20-13-30-24(36-20)16-2-1-3-18(27)12-16/h1-5,7-8,10-13,19H,6,9,14H2,(H,29,34)(H,31,32).

What are the key properties of 2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide?

2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 526.59 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluorophenyl)-N-[2-[[4-(4-fluorophenyl)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 176679536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).