2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C21H20N4S — CID 123757583

IUPAC2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCCc1ccc(Nc2ncnc3sc(Cc4ccccc4)nc23)cc1C
InChIInChI=1S/C21H20N4S/c1-3-16-9-10-17(11-14(16)2)24-20-19-21(23-13-22-20)26-18(25-19)12-15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,22,23,24)
InChIKeyLWNKYOCHJGBJEH-UHFFFAOYSA-N
MW360.49 g/mol
LogP5.29
Rot. Bonds5

About 2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 123757583) has the molecular formula C21H20N4S and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID123757583
Molecular FormulaC21H20N4S
Molecular Weight360.49 g/mol
Exact Mass360.14
IUPAC Name2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCCc1ccc(Nc2ncnc3sc(Cc4ccccc4)nc23)cc1C
InChIInChI=1S/C21H20N4S/c1-3-16-9-10-17(11-14(16)2)24-20-19-21(23-13-22-20)26-18(25-19)12-15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,22,23,24)
InChIKeyLWNKYOCHJGBJEH-UHFFFAOYSA-N
XLogP5.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 42642477
N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 42641231
2-[(2,6-dichlorophenyl)methyl]-N-(3-fluoro-4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 42641120
2-[(2,6-dichlorophenyl)methyl]-N-(4-fluorophenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 42641006
N-(4-ethyl-3-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 114250739
3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
CID 113346577
3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine
CID 114250505
ethyl 4-[7-(1H-indazol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate
CID 90390921
4-N-(4-ethyl-3-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 114250651
2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 11529827
ethyl 4-[7-(1H-isoindol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoate;4-[7-(1H-isoindol-5-ylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]butanoic acid
CID 158521338
2-(3-methoxyphenyl)-N-(3-methoxy-4-phenylmethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 23159012

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 123757583) is 2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is CCc1ccc(Nc2ncnc3sc(Cc4ccccc4)nc23)cc1C.
What is the InChIKey of 2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is LWNKYOCHJGBJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S/c1-3-16-9-10-17(11-14(16)2)24-20-19-21(23-13-22-20)26-18(25-19)12-15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H,22,23,24).
What are the key properties of 2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 360.49 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4-ethyl-3-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 123757583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).