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

C19H11Cl2F3N4S — CID 42642137

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)cc1
InChIInChI=1S/C19H11Cl2F3N4S/c20-13-2-1-3-14(21)12(13)8-15-28-16-17(25-9-26-18(16)29-15)27-11-6-4-10(5-7-11)19(22,23)24/h1-7,9H,8H2,(H,25,26,27)
InChIKeyZLJIMPNGWJVGFZ-UHFFFAOYSA-N
MW455.29 g/mol
LogP6.75
Rot. Bonds4

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

2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 42642137) has the molecular formula C19H11Cl2F3N4S and a molecular weight of 455.29 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID42642137
Molecular FormulaC19H11Cl2F3N4S
Molecular Weight455.29 g/mol
Exact Mass454.00
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)cc1
InChIInChI=1S/C19H11Cl2F3N4S/c20-13-2-1-3-14(21)12(13)8-15-28-16-17(25-9-26-18(16)29-15)27-11-6-4-10(5-7-11)19(22,23)24/h1-7,9H,8H2,(H,25,26,27)
InChIKeyZLJIMPNGWJVGFZ-UHFFFAOYSA-N
XLogP6.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.29
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 42642137) is 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is FC(F)(F)c1ccc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)cc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is ZLJIMPNGWJVGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N4S/c20-13-2-1-3-14(21)12(13)8-15-28-16-17(25-9-26-18(16)29-15)27-11-6-4-10(5-7-11)19(22,23)24/h1-7,9H,8H2,(H,25,26,27).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 455.29 g/mol, XLogP of 6.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 42642137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).