5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine

C23H23FN4O3S — CID 26323593

About 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine

5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 26323593) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine
• PubChem CID: 26323593
• Molecular Formula: C23H23FN4O3S
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.15
• IUPAC Name: 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine
• SMILES: COc1ccc(CNc2nc(C)c(-c3ccn(-c4cccc(F)c4)n3)s2)c(OC)c1OC
• InChI: InChI=1S/C23H23FN4O3S/c1-14-22(18-10-11-28(27-18)17-7-5-6-16(24)12-17)32-23(26-14)25-13-15-8-9-19(29-2)21(31-4)20(15)30-3/h5-12H,13H2,1-4H3,(H,25,26)
• InChIKey: NNZIQQKVKZACDA-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 70.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine?

The IUPAC name of 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 26323593) is 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine.

What is the SMILES notation for 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine?

The canonical SMILES for 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1ccc(CNc2nc(C)c(-c3ccn(-c4cccc(F)c4)n3)s2)c(OC)c1OC.

What is the InChIKey of 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine?

The InChIKey is NNZIQQKVKZACDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c1-14-22(18-10-11-28(27-18)17-7-5-6-16(24)12-17)32-23(26-14)25-13-15-8-9-19(29-2)21(31-4)20(15)30-3/h5-12H,13H2,1-4H3,(H,25,26).

What are the key properties of 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine?

5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 454.53 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 26323593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).