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

C21H17Cl2F3N6S — CID 24882876

IUPAC2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
SMILESCC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C21H17Cl2F3N6S/c1-10(2)27-19-31-17(28-12-8-6-11(7-9-12)21(24,25)26)16-18(32-19)33-20(30-16)29-15-13(22)4-3-5-14(15)23/h3-10H,1-2H3,(H,29,30)(H2,27,28,31,32)
InChIKeyFFBBIJYCAUUUNB-UHFFFAOYSA-N
MW513.38 g/mol
LogP7.72
Rot. Bonds6

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

2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine (PubChem CID 24882876) has the molecular formula C21H17Cl2F3N6S and a molecular weight of 513.38 g/mol. Its IUPAC name is 2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine.

Molecular Properties

Compound Name2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
PubChem CID24882876
Molecular FormulaC21H17Cl2F3N6S
Molecular Weight513.38 g/mol
Exact Mass512.06
IUPAC Name2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
SMILESCC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C21H17Cl2F3N6S/c1-10(2)27-19-31-17(28-12-8-6-11(7-9-12)21(24,25)26)16-18(32-19)33-20(30-16)29-15-13(22)4-3-5-14(15)23/h3-10H,1-2H3,(H,29,30)(H2,27,28,31,32)
InChIKeyFFBBIJYCAUUUNB-UHFFFAOYSA-N
XLogP7.72
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.38
LogP ≤ 57.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine?
The IUPAC name of 2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine (CID 24882876) is 2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine.
What is the SMILES notation for 2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine?
The canonical SMILES for 2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine is CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1.
What is the InChIKey of 2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine?
The InChIKey is FFBBIJYCAUUUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F3N6S/c1-10(2)27-19-31-17(28-12-8-6-11(7-9-12)21(24,25)26)16-18(32-19)33-20(30-16)29-15-13(22)4-3-5-14(15)23/h3-10H,1-2H3,(H,29,30)(H2,27,28,31,32).
What are the key properties of 2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine?
2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine has a molecular weight of 513.38 g/mol, XLogP of 7.72, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dichlorophenyl)-5-N-propan-2-yl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine is sourced from PubChem (CID 24882876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).