2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C26H24Cl2F3N5OS — CID 163910096

About 2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 163910096) has the molecular formula C26H24Cl2F3N5OS and a molecular weight of 582.48 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
• PubChem CID: 163910096
• Molecular Formula: C26H24Cl2F3N5OS
• Molecular Weight: 582.48 g/mol
• Exact Mass: 581.10
• IUPAC Name: 2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
• SMILES: COCC[C@@H]1CCCN1c1nc(Nc2ccc(C(F)(F)F)cc2)c2nc(Cc3c(Cl)cccc3Cl)sc2n1
• InChI: InChI=1S/C26H24Cl2F3N5OS/c1-37-13-11-17-4-3-12-36(17)25-34-23(32-16-9-7-15(8-10-16)26(29,30)31)22-24(35-25)38-21(33-22)14-18-19(27)5-2-6-20(18)28/h2,5-10,17H,3-4,11-14H2,1H3,(H,32,34,35)/t17-/m0/s1
• InChIKey: QRHSFCRVJDUZSI-KRWDZBQOSA-N
• XLogP: 7.75
• TPSA: 63.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.48
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 163910096) is 2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is COCC[C@@H]1CCCN1c1nc(Nc2ccc(C(F)(F)F)cc2)c2nc(Cc3c(Cl)cccc3Cl)sc2n1.

What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The InChIKey is QRHSFCRVJDUZSI-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H24Cl2F3N5OS/c1-37-13-11-17-4-3-12-36(17)25-34-23(32-16-9-7-15(8-10-16)26(29,30)31)22-24(35-25)38-21(33-22)14-18-19(27)5-2-6-20(18)28/h2,5-10,17H,3-4,11-14H2,1H3,(H,32,34,35)/t17-/m0/s1.

What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 582.48 g/mol, XLogP of 7.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,6-dichlorophenyl)methyl]-5-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 163910096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).