N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide

C26H23F2N5O2S — CID 141255934

About N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide

N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide (PubChem CID 141255934) has the molecular formula C26H23F2N5O2S and a molecular weight of 507.57 g/mol. Its IUPAC name is N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide.

Molecular Properties

• Compound Name: N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide
• PubChem CID: 141255934
• Molecular Formula: C26H23F2N5O2S
• Molecular Weight: 507.57 g/mol
• Exact Mass: 507.15
• IUPAC Name: N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide
• SMILES: CC(C)(NC(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ncc(C3CC3)[nH]2)s1
• InChI: InChI=1S/C26H23F2N5O2S/c1-26(2,33-23(34)16-7-11-18(28)12-8-16)24(35)32-25-31-20(15-5-9-17(27)10-6-15)21(36-25)22-29-13-19(30-22)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,29,30)(H,33,34)(H,31,32,35)
• InChIKey: UVPKTZMXKLBING-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.57
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide?

The IUPAC name of N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide (CID 141255934) is N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide.

What is the SMILES notation for N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide?

The canonical SMILES for N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide is CC(C)(NC(=O)c1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ncc(C3CC3)[nH]2)s1.

What is the InChIKey of N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide?

The InChIKey is UVPKTZMXKLBING-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O2S/c1-26(2,33-23(34)16-7-11-18(28)12-8-16)24(35)32-25-31-20(15-5-9-17(27)10-6-15)21(36-25)22-29-13-19(30-22)14-3-4-14/h5-14H,3-4H2,1-2H3,(H,29,30)(H,33,34)(H,31,32,35).

What are the key properties of N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide?

N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide has a molecular weight of 507.57 g/mol, XLogP of 5.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[5-(5-cyclopropyl-1H-imidazol-2-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 141255934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).