4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine

C25H23ClF3N5O2S2 — CID 90421991

About 4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine (PubChem CID 90421991) has the molecular formula C25H23ClF3N5O2S2 and a molecular weight of 582.07 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine
• PubChem CID: 90421991
• Molecular Formula: C25H23ClF3N5O2S2
• Molecular Weight: 582.07 g/mol
• Exact Mass: 581.09
• IUPAC Name: 4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine
• SMILES: CN(c1nc(-c2ccc(Cl)cc2)cs1)c1c(CC(F)(F)F)nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn12
• InChI: InChI=1S/C25H23ClF3N5O2S2/c1-32(24-31-21(15-37-24)17-3-6-19(26)7-4-17)23-20(13-25(27,28)29)30-22-8-5-18(14-34(22)23)16-9-11-33(12-10-16)38(2,35)36/h3-9,14-15H,10-13H2,1-2H3
• InChIKey: JJPGGJMYVPEZMJ-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 70.81 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.07
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine?

The IUPAC name of 4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine (CID 90421991) is 4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine?

The canonical SMILES for 4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine is CN(c1nc(-c2ccc(Cl)cc2)cs1)c1c(CC(F)(F)F)nc2ccc(C3=CCN(S(C)(=O)=O)CC3)cn12.

What is the InChIKey of 4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine?

The InChIKey is JJPGGJMYVPEZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF3N5O2S2/c1-32(24-31-21(15-37-24)17-3-6-19(26)7-4-17)23-20(13-25(27,28)29)30-22-8-5-18(14-34(22)23)16-9-11-33(12-10-16)38(2,35)36/h3-9,14-15H,10-13H2,1-2H3.

What are the key properties of 4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine?

4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine has a molecular weight of 582.07 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-N-methyl-N-[6-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 90421991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).