4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide

C25H23FN2O2S — CID 1176073

About 4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide

4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1176073) has the molecular formula C25H23FN2O2S and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 1176073
• Molecular Formula: C25H23FN2O2S
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.15
• IUPAC Name: 4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide
• SMILES: CC(C)(C)c1ccc(C(=O)N(Cc2ccco2)c2nc(-c3ccc(F)cc3)cs2)cc1
• InChI: InChI=1S/C25H23FN2O2S/c1-25(2,3)19-10-6-18(7-11-19)23(29)28(15-21-5-4-14-30-21)24-27-22(16-31-24)17-8-12-20(26)13-9-17/h4-14,16H,15H2,1-3H3
• InChIKey: RHJUVRJJKGNRNQ-UHFFFAOYSA-N
• XLogP: 6.69
• TPSA: 46.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide?

The IUPAC name of 4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide (CID 1176073) is 4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide.

What is the SMILES notation for 4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide?

The canonical SMILES for 4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide is CC(C)(C)c1ccc(C(=O)N(Cc2ccco2)c2nc(-c3ccc(F)cc3)cs2)cc1.

What is the InChIKey of 4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide?

The InChIKey is RHJUVRJJKGNRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2S/c1-25(2,3)19-10-6-18(7-11-19)23(29)28(15-21-5-4-14-30-21)24-27-22(16-31-24)17-8-12-20(26)13-9-17/h4-14,16H,15H2,1-3H3.

What are the key properties of 4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide?

4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 434.54 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1176073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).