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

C18H9Cl3F3N5S — CID 24882959

IUPAC7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1Cl
InChIInChI=1S/C18H9Cl3F3N5S/c19-10-2-1-3-11(20)13(10)28-17-29-14-15(25-7-26-16(14)30-17)27-8-4-5-9(12(21)6-8)18(22,23)24/h1-7H,(H,28,29)(H,25,26,27)
InChIKeyMNAUGXCUMJLTFK-UHFFFAOYSA-N
MW490.73 g/mol
LogP7.55
Rot. Bonds4

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

7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 24882959) has the molecular formula C18H9Cl3F3N5S and a molecular weight of 490.73 g/mol. Its IUPAC name is 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID24882959
Molecular FormulaC18H9Cl3F3N5S
Molecular Weight490.73 g/mol
Exact Mass488.96
IUPAC Name7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1Cl
InChIInChI=1S/C18H9Cl3F3N5S/c19-10-2-1-3-11(20)13(10)28-17-29-14-15(25-7-26-16(14)30-17)27-8-4-5-9(12(21)6-8)18(22,23)24/h1-7H,(H,28,29)(H,25,26,27)
InChIKeyMNAUGXCUMJLTFK-UHFFFAOYSA-N
XLogP7.55
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.73
LogP ≤ 57.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 24882959) is 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1Cl.
What is the InChIKey of 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is MNAUGXCUMJLTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl3F3N5S/c19-10-2-1-3-11(20)13(10)28-17-29-14-15(25-7-26-16(14)30-17)27-8-4-5-9(12(21)6-8)18(22,23)24/h1-7H,(H,28,29)(H,25,26,27).
What are the key properties of 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 490.73 g/mol, XLogP of 7.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 24882959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).