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

C19H14F3N5S — CID 44569642

IUPAC2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1ccccc1Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2s1
InChIInChI=1S/C19H14F3N5S/c1-11-4-2-3-5-14(11)26-18-27-15-16(23-10-24-17(15)28-18)25-13-8-6-12(7-9-13)19(20,21)22/h2-10H,1H3,(H,26,27)(H,23,24,25)
InChIKeyCHESFZLGTUGORE-UHFFFAOYSA-N
MW401.42 g/mol
LogP5.90
Rot. Bonds4

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

2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 44569642) has the molecular formula C19H14F3N5S and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID44569642
Molecular FormulaC19H14F3N5S
Molecular Weight401.42 g/mol
Exact Mass401.09
IUPAC Name2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1ccccc1Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2s1
InChIInChI=1S/C19H14F3N5S/c1-11-4-2-3-5-14(11)26-18-27-15-16(23-10-24-17(15)28-18)25-13-8-6-12(7-9-13)19(20,21)22/h2-10H,1H3,(H,26,27)(H,23,24,25)
InChIKeyCHESFZLGTUGORE-UHFFFAOYSA-N
XLogP5.90
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(Cyclohexylmethyl)-5-Phenyl-Imidazol-4-Yl]-[1,3]thiazolo[4,5-E]pyrimidin-7-Amine
CID 10362983
N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11173949
4-(4-Fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083789
4-(4-fluorophenyl)-N,12-dimethyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083790
N-ethyl-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083906
4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)ethyl]-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 25263294
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
[4-(2-Methyl-imidazo[1,2-a]pyrimidin-3-yl)-thiazol-2-yl]-p-tolyl-amine
CID 2898055
Thienopyrimidine deriv. 65
CID 6539974
4-N-benzyl-8-N,12-dimethyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaene-4,8-diamine
CID 25263285
2-((4-Butylphenyl)amino)-6-(methylthio)-9H-purine
CID 389513

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 44569642) is 2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is Cc1ccccc1Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2s1.
What is the InChIKey of 2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is CHESFZLGTUGORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5S/c1-11-4-2-3-5-14(11)26-18-27-15-16(23-10-24-17(15)28-18)25-13-8-6-12(7-9-13)19(20,21)22/h2-10H,1H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 401.42 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 44569642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).