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

C19H13ClF3N5S — CID 24883048

IUPAC2-N-(2-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1cccc(Cl)c1Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2s1
InChIInChI=1S/C19H13ClF3N5S/c1-10-3-2-4-13(20)14(10)27-18-28-15-16(24-9-25-17(15)29-18)26-12-7-5-11(6-8-12)19(21,22)23/h2-9H,1H3,(H,27,28)(H,24,25,26)
InChIKeyGVXKEDWJCUDBKK-UHFFFAOYSA-N
MW435.86 g/mol
LogP6.55
Rot. Bonds4

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

2-N-(2-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 24883048) has the molecular formula C19H13ClF3N5S and a molecular weight of 435.86 g/mol. Its IUPAC name is 2-N-(2-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID24883048
Molecular FormulaC19H13ClF3N5S
Molecular Weight435.86 g/mol
Exact Mass435.05
IUPAC Name2-N-(2-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1cccc(Cl)c1Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2s1
InChIInChI=1S/C19H13ClF3N5S/c1-10-3-2-4-13(20)14(10)27-18-28-15-16(24-9-25-17(15)29-18)26-12-7-5-11(6-8-12)19(21,22)23/h2-9H,1H3,(H,27,28)(H,24,25,26)
InChIKeyGVXKEDWJCUDBKK-UHFFFAOYSA-N
XLogP6.55
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.86
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
(3,5-Dichloro-4-(7-(4-(trifluoromethyl)phenylamino)thiazolo[5,4-d]pyrimidin-2-ylamino)phenyl)methanol
CID 44569485
N7-(3-chloro-4-fluorophenyl)-N2-(4-((dimethylamino)methyl)phenyl)thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 16037083
N7-(3-chloro-4-fluorophenyl)-N2-(4-(2-(dimethylamino)ethyl)phenyl)thiazolo[4,5-d]pyrimidine-2,7-diamine
CID 16037084
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-(2,6-dimethylphenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883004
N2-(2-chlorophenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883050
N7-(3-chloro-4-(trifluoromethyl)phenyl)-N2-(2,6-dichlorophenyl)-5-methylthiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883145

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-(2-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 24883048) is 2-N-(2-chloro-6-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-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-(2-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is Cc1cccc(Cl)c1Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2s1.
What is the InChIKey of 2-N-(2-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is GVXKEDWJCUDBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N5S/c1-10-3-2-4-13(20)14(10)27-18-28-15-16(24-9-25-17(15)29-18)26-12-7-5-11(6-8-12)19(21,22)23/h2-9H,1H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-N-(2-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
2-N-(2-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 435.86 g/mol, XLogP of 6.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-6-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 24883048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).