2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

C23H19Cl2F3N6S — CID 24883305

About 2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 24883305) has the molecular formula C23H19Cl2F3N6S and a molecular weight of 539.41 g/mol. Its IUPAC name is 2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

• Compound Name: 2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
• PubChem CID: 24883305
• Molecular Formula: C23H19Cl2F3N6S
• Molecular Weight: 539.41 g/mol
• Exact Mass: 538.07
• IUPAC Name: 2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
• SMILES: FC(F)(F)c1ccc(Nc2nc(N3CCCCC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
• InChI: InChI=1S/C23H19Cl2F3N6S/c24-15-5-4-6-16(25)17(15)30-22-31-18-19(29-14-9-7-13(8-10-14)23(26,27)28)32-21(33-20(18)35-22)34-11-2-1-3-12-34/h4-10H,1-3,11-12H2,(H,30,31)(H,29,32,33)
• InChIKey: WQRNAUKHCRQACW-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 65.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.41
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?

The IUPAC name of 2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 24883305) is 2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

What is the SMILES notation for 2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?

The canonical SMILES for 2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is FC(F)(F)c1ccc(Nc2nc(N3CCCCC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1.

What is the InChIKey of 2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?

The InChIKey is WQRNAUKHCRQACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3N6S/c24-15-5-4-6-16(25)17(15)30-22-31-18-19(29-14-9-7-13(8-10-14)23(26,27)28)32-21(33-20(18)35-22)34-11-2-1-3-12-34/h4-10H,1-3,11-12H2,(H,30,31)(H,29,32,33).

What are the key properties of 2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?

2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 539.41 g/mol, XLogP of 7.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2,6-dichlorophenyl)-5-piperidin-1-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 24883305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).