7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine

C25H28N6OS — CID 87812713

IUPAC7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
SMILESCc1ccc(Nc2cc(C)c3nc(Nc4cc(CCN5CCOCC5)ccn4)sc3n2)cc1
InChIInChI=1S/C25H28N6OS/c1-17-3-5-20(6-4-17)27-22-15-18(2)23-24(28-22)33-25(30-23)29-21-16-19(7-9-26-21)8-10-31-11-13-32-14-12-31/h3-7,9,15-16H,8,10-14H2,1-2H3,(H,27,28)(H,26,29,30)
InChIKeyBOQREZSIYVAILF-UHFFFAOYSA-N
MW460.61 g/mol
LogP5.07
Rot. Bonds7

About 7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine

7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine (PubChem CID 87812713) has the molecular formula C25H28N6OS and a molecular weight of 460.61 g/mol. Its IUPAC name is 7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine.

Molecular Properties

Compound Name7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
PubChem CID87812713
Molecular FormulaC25H28N6OS
Molecular Weight460.61 g/mol
Exact Mass460.20
IUPAC Name7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
SMILESCc1ccc(Nc2cc(C)c3nc(Nc4cc(CCN5CCOCC5)ccn4)sc3n2)cc1
InChIInChI=1S/C25H28N6OS/c1-17-3-5-20(6-4-17)27-22-15-18(2)23-24(28-22)33-25(30-23)29-21-16-19(7-9-26-21)8-10-31-11-13-32-14-12-31/h3-7,9,15-16H,8,10-14H2,1-2H3,(H,27,28)(H,26,29,30)
InChIKeyBOQREZSIYVAILF-UHFFFAOYSA-N
XLogP5.07
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.61
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 24772361
6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 108773215
6-N-(5-methyl-1,3-thiazol-2-yl)-4-(morpholin-4-ylmethyl)pyridine-2,6-diamine
CID 146425111
2-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167956
N-[4-(morpholin-4-ylmethyl)-2-pyridinyl]isoquinolin-3-amine
CID 58285180
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341
9-methyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-8-pyridin-4-ylpurin-2-amine
CID 24745635
4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913356
5-N-methyl-5-N-(4-methylphenyl)-2-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
CID 90861769
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 22040413
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112870421
[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone
CID 87812811

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The IUPAC name of 7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine (CID 87812713) is 7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine.
What is the SMILES notation for 7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The canonical SMILES for 7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine is Cc1ccc(Nc2cc(C)c3nc(Nc4cc(CCN5CCOCC5)ccn4)sc3n2)cc1.
What is the InChIKey of 7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The InChIKey is BOQREZSIYVAILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6OS/c1-17-3-5-20(6-4-17)27-22-15-18(2)23-24(28-22)33-25(30-23)29-21-16-19(7-9-26-21)8-10-31-11-13-32-14-12-31/h3-7,9,15-16H,8,10-14H2,1-2H3,(H,27,28)(H,26,29,30).
What are the key properties of 7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine has a molecular weight of 460.61 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-N-(4-methylphenyl)-2-N-[4-(2-morpholin-4-ylethyl)-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine is sourced from PubChem (CID 87812713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).