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

C18H11Cl2F3N6S — CID 24883398

IUPAC2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1nc(Nc2ccc(C(F)(F)F)cn2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C18H11Cl2F3N6S/c1-8-25-15(27-12-6-5-9(7-24-12)18(21,22)23)14-16(26-8)30-17(29-14)28-13-10(19)3-2-4-11(13)20/h2-7H,1H3,(H,28,29)(H,24,25,26,27)
InChIKeyXLZREFQFRHFKLK-UHFFFAOYSA-N
MW471.30 g/mol
LogP6.60
Rot. Bonds4

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

2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 24883398) has the molecular formula C18H11Cl2F3N6S and a molecular weight of 471.30 g/mol. Its IUPAC name is 2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID24883398
Molecular FormulaC18H11Cl2F3N6S
Molecular Weight471.30 g/mol
Exact Mass470.01
IUPAC Name2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1nc(Nc2ccc(C(F)(F)F)cn2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C18H11Cl2F3N6S/c1-8-25-15(27-12-6-5-9(7-24-12)18(21,22)23)14-16(26-8)30-17(29-14)28-13-10(19)3-2-4-11(13)20/h2-7H,1H3,(H,28,29)(H,24,25,26,27)
InChIKeyXLZREFQFRHFKLK-UHFFFAOYSA-N
XLogP6.60
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.30
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 24883398) is 2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is Cc1nc(Nc2ccc(C(F)(F)F)cn2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1.
What is the InChIKey of 2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is XLZREFQFRHFKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F3N6S/c1-8-25-15(27-12-6-5-9(7-24-12)18(21,22)23)14-16(26-8)30-17(29-14)28-13-10(19)3-2-4-11(13)20/h2-7H,1H3,(H,28,29)(H,24,25,26,27).
What are the key properties of 2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 471.30 g/mol, XLogP of 6.60, 4 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-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 24883398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).