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

C22H21FN4OS — CID 26338246

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

5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 26338246) has the molecular formula C22H21FN4OS and a molecular weight of 408.50 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
• PubChem CID: 26338246
• Molecular Formula: C22H21FN4OS
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.14
• IUPAC Name: 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
• SMILES: COc1ccccc1CNc1nc(C)c(-c2ccn(Cc3ccccc3F)n2)s1
• InChI: InChI=1S/C22H21FN4OS/c1-15-21(19-11-12-27(26-19)14-17-8-3-5-9-18(17)23)29-22(25-15)24-13-16-7-4-6-10-20(16)28-2/h3-12H,13-14H2,1-2H3,(H,24,25)
• InChIKey: PMTYMBRHXQGMQS-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 51.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 26338246) is 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine.

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

The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine is COc1ccccc1CNc1nc(C)c(-c2ccn(Cc3ccccc3F)n2)s1.

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

The InChIKey is PMTYMBRHXQGMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4OS/c1-15-21(19-11-12-27(26-19)14-17-8-3-5-9-18(17)23)29-22(25-15)24-13-16-7-4-6-10-20(16)28-2/h3-12H,13-14H2,1-2H3,(H,24,25).

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

5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 408.50 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 26338246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).