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

C19H11Cl3F3N5S — CID 24883145

IUPAC7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1nc(Nc2ccc(C(F)(F)F)c(Cl)c2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C19H11Cl3F3N5S/c1-8-26-16(28-9-5-6-10(13(22)7-9)19(23,24)25)15-17(27-8)31-18(30-15)29-14-11(20)3-2-4-12(14)21/h2-7H,1H3,(H,29,30)(H,26,27,28)
InChIKeyYBYZWKCBDRTNOF-UHFFFAOYSA-N
MW504.75 g/mol
LogP7.86
Rot. Bonds4

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

7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 24883145) has the molecular formula C19H11Cl3F3N5S and a molecular weight of 504.75 g/mol. Its IUPAC name is 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-methyl-[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)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID24883145
Molecular FormulaC19H11Cl3F3N5S
Molecular Weight504.75 g/mol
Exact Mass502.98
IUPAC Name7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1nc(Nc2ccc(C(F)(F)F)c(Cl)c2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
InChIInChI=1S/C19H11Cl3F3N5S/c1-8-26-16(28-9-5-6-10(13(22)7-9)19(23,24)25)15-17(27-8)31-18(30-15)29-14-11(20)3-2-4-12(14)21/h2-7H,1H3,(H,29,30)(H,26,27,28)
InChIKeyYBYZWKCBDRTNOF-UHFFFAOYSA-N
XLogP7.86
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.75
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

N2-(2,6-dichlorophenyl)-N5-isobutyl-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,5,7-triamine
CID 24882754
N7-(4-tert-butylphenyl)-N2-(2,6-dichlorophenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882958
N2-(2,6-dichlorophenyl)-N5-isopropyl-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,5,7-triamine
CID 24882876
N2-(2,6-dichlorophenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882956
N2-(2,6-dichlorophenyl)-N7-(6-(trifluoromethyl)pyridin-3-yl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882957
Thiazolo[5,4-d]pyrimidine-2,7-diamine, N7-[3-chloro-4-(trifluoromethyl)phenyl]-N2-(2,6-dichlorophenyl)-
CID 24882959
N2-(2-chloro-6-methylphenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883048
N2-(2-chlorophenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883050
N2-(2,6-dichlorophenyl)-5-(piperidin-1-yl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883305
N2-(2,6-dichlorophenyl)-5-(pyrrolidin-1-yl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883307
5-(azetidin-1-yl)-N2-(2,6-dichlorophenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883308
N5-(cyclopropylmethyl)-N2-(2,6-dichlorophenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,5,7-triamine
CID 24883353

Frequently Asked Questions

What is the IUPAC name of 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-methyl-[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)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 24883145) is 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-methyl-[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)-5-methyl-[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)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is Cc1nc(Nc2ccc(C(F)(F)F)c(Cl)c2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1.
What is the InChIKey of 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is YBYZWKCBDRTNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3F3N5S/c1-8-26-16(28-9-5-6-10(13(22)7-9)19(23,24)25)15-17(27-8)31-18(30-15)29-14-11(20)3-2-4-12(14)21/h2-7H,1H3,(H,29,30)(H,26,27,28).
What are the key properties of 7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 504.75 g/mol, XLogP of 7.86, 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)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 24883145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).