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

C18H11ClF3N5S — CID 24883050

IUPAC2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Nc4ccccc4Cl)nc23)cc1
InChIInChI=1S/C18H11ClF3N5S/c19-12-3-1-2-4-13(12)26-17-27-14-15(23-9-24-16(14)28-17)25-11-7-5-10(6-8-11)18(20,21)22/h1-9H,(H,26,27)(H,23,24,25)
InChIKeyBBQPIILAENKTBC-UHFFFAOYSA-N
MW421.84 g/mol
LogP6.25
Rot. Bonds4

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

2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 24883050) has the molecular formula C18H11ClF3N5S and a molecular weight of 421.84 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID24883050
Molecular FormulaC18H11ClF3N5S
Molecular Weight421.84 g/mol
Exact Mass421.04
IUPAC Name2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESFC(F)(F)c1ccc(Nc2ncnc3sc(Nc4ccccc4Cl)nc23)cc1
InChIInChI=1S/C18H11ClF3N5S/c19-12-3-1-2-4-13(12)26-17-27-14-15(23-9-24-16(14)28-17)25-11-7-5-10(6-8-11)18(20,21)22/h1-9H,(H,26,27)(H,23,24,25)
InChIKeyBBQPIILAENKTBC-UHFFFAOYSA-N
XLogP6.25
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.84
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 24883050) is 2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4ccccc4Cl)nc23)cc1.
What is the InChIKey of 2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is BBQPIILAENKTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N5S/c19-12-3-1-2-4-13(12)26-17-27-14-15(23-9-24-16(14)28-17)25-11-7-5-10(6-8-11)18(20,21)22/h1-9H,(H,26,27)(H,23,24,25).
What are the key properties of 2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 421.84 g/mol, XLogP of 6.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 24883050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).