N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine

C24H18ClF4N3S — CID 16744424

About N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine

N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 16744424) has the molecular formula C24H18ClF4N3S and a molecular weight of 491.94 g/mol. Its IUPAC name is N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine
• PubChem CID: 16744424
• Molecular Formula: C24H18ClF4N3S
• Molecular Weight: 491.94 g/mol
• Exact Mass: 491.08
• IUPAC Name: N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine
• SMILES: Cc1cnc(NC(Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)s1
• InChI: InChI=1S/C24H18ClF4N3S/c1-15-13-31-22(33-15)32-23(12-16-5-3-2-4-6-16,21-8-7-19(25)14-30-21)17-9-18(24(27,28)29)11-20(26)10-17/h2-11,13-14H,12H2,1H3,(H,31,32)
• InChIKey: DBNFNSIOFOESOT-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 37.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.94
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine?

The IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine (CID 16744424) is N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine is Cc1cnc(NC(Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)s1.

What is the InChIKey of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine?

The InChIKey is DBNFNSIOFOESOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF4N3S/c1-15-13-31-22(33-15)32-23(12-16-5-3-2-4-6-16,21-8-7-19(25)14-30-21)17-9-18(24(27,28)29)11-20(26)10-17/h2-11,13-14H,12H2,1H3,(H,31,32).

What are the key properties of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine?

N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 491.94 g/mol, XLogP of 7.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 16744424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).