7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine

C12H5Cl2F3N4S — CID 59646413

IUPAC7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Cl)c1Nc1nc2c(Cl)ncnc2s1
InChIInChI=1S/C12H5Cl2F3N4S/c13-6-3-1-2-5(12(15,16)17)7(6)20-11-21-8-9(14)18-4-19-10(8)22-11/h1-4H,(H,20,21)
InChIKeyIIQVIUBHIMQHHK-UHFFFAOYSA-N
MW365.17 g/mol
LogP5.16
Rot. Bonds2

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

7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (PubChem CID 59646413) has the molecular formula C12H5Cl2F3N4S and a molecular weight of 365.17 g/mol. Its IUPAC name is 7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
PubChem CID59646413
Molecular FormulaC12H5Cl2F3N4S
Molecular Weight365.17 g/mol
Exact Mass363.96
IUPAC Name7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Cl)c1Nc1nc2c(Cl)ncnc2s1
InChIInChI=1S/C12H5Cl2F3N4S/c13-6-3-1-2-5(12(15,16)17)7(6)20-11-21-8-9(14)18-4-19-10(8)22-11/h1-4H,(H,20,21)
InChIKeyIIQVIUBHIMQHHK-UHFFFAOYSA-N
XLogP5.16
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.17
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-(2-chlorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 59646415
2-N-(2,6-dichlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882956
2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 44569785
7-chloro-N-(2,6-dichlorophenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 59646451
2-N-(2,6-dichlorophenyl)-5-methyl-7-N-[5-(trifluoromethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24883398
methyl 2-[2-chloro-6-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylate
CID 115422959
2-N-(2,6-dichlorophenyl)-7-N-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 44569894
1-chloro-2-[2-chloro-6-(trifluoromethyl)phenyl]hydrazine
CID 19596425
7-N-[3-chloro-4-(trifluoromethyl)phenyl]-2-N-(2,6-dimethylphenyl)-5-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 59646409
2-[2-chloro-6-(trifluoromethyl)anilino]-5-(ethenylamino)-N'-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboximidamide
CID 136620647
2-N-(2-iodo-6-methylphenyl)-7-N-[6-(trifluoromethyl)-3-pyridinyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 89302741
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43382040

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The IUPAC name of 7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine (CID 59646413) is 7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine.
What is the SMILES notation for 7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The canonical SMILES for 7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is FC(F)(F)c1cccc(Cl)c1Nc1nc2c(Cl)ncnc2s1.
What is the InChIKey of 7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
The InChIKey is IIQVIUBHIMQHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F3N4S/c13-6-3-1-2-5(12(15,16)17)7(6)20-11-21-8-9(14)18-4-19-10(8)22-11/h1-4H,(H,20,21).
What are the key properties of 7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine?
7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine has a molecular weight of 365.17 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-chloro-6-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidin-2-amine is sourced from PubChem (CID 59646413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).