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

C17H9Cl2F3N6S — CID 42642035

IUPAC2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1cnc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)cn1
InChIInChI=1S/C17H9Cl2F3N6S/c18-9-2-1-3-10(19)8(9)4-13-28-14-15(25-7-26-16(14)29-13)27-12-6-23-11(5-24-12)17(20,21)22/h1-3,5-7H,4H2,(H,24,25,26,27)
InChIKeyXGYDJXXARXOGRC-UHFFFAOYSA-N
MW457.27 g/mol
LogP5.54
Rot. Bonds4

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

2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 42642035) has the molecular formula C17H9Cl2F3N6S and a molecular weight of 457.27 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID42642035
Molecular FormulaC17H9Cl2F3N6S
Molecular Weight457.27 g/mol
Exact Mass455.99
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESFC(F)(F)c1cnc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)cn1
InChIInChI=1S/C17H9Cl2F3N6S/c18-9-2-1-3-10(19)8(9)4-13-28-14-15(25-7-26-16(14)29-13)27-12-6-23-11(5-24-12)17(20,21)22/h1-3,5-7H,4H2,(H,24,25,26,27)
InChIKeyXGYDJXXARXOGRC-UHFFFAOYSA-N
XLogP5.54
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.27
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 42642035) is 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is FC(F)(F)c1cnc(Nc2ncnc3sc(Cc4c(Cl)cccc4Cl)nc23)cn1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is XGYDJXXARXOGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F3N6S/c18-9-2-1-3-10(19)8(9)4-13-28-14-15(25-7-26-16(14)29-13)27-12-6-23-11(5-24-12)17(20,21)22/h1-3,5-7H,4H2,(H,24,25,26,27).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-[(2,6-dichlorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 457.27 g/mol, XLogP of 5.54, 4 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]-N-[5-(trifluoromethyl)pyrazin-2-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 42642035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).