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

C20H20N6S — CID 87812424

IUPAC2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
SMILESCc1ccc(N(C)c2ccc3nc(Nc4cc(CN)ccn4)sc3n2)cc1
InChIInChI=1S/C20H20N6S/c1-13-3-5-15(6-4-13)26(2)18-8-7-16-19(25-18)27-20(23-16)24-17-11-14(12-21)9-10-22-17/h3-11H,12,21H2,1-2H3,(H,22,23,24)
InChIKeyFKJNQXNTFDBNQF-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.36
Rot. Bonds5

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

2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine (PubChem CID 87812424) has the molecular formula C20H20N6S and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
PubChem CID87812424
Molecular FormulaC20H20N6S
Molecular Weight376.49 g/mol
Exact Mass376.15
IUPAC Name2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine
SMILESCc1ccc(N(C)c2ccc3nc(Nc4cc(CN)ccn4)sc3n2)cc1
InChIInChI=1S/C20H20N6S/c1-13-3-5-15(6-4-13)26(2)18-8-7-16-19(25-18)27-20(23-16)24-17-11-14(12-21)9-10-22-17/h3-11H,12,21H2,1-2H3,(H,22,23,24)
InChIKeyFKJNQXNTFDBNQF-UHFFFAOYSA-N
XLogP4.36
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The IUPAC name of 2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine (CID 87812424) is 2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine is Cc1ccc(N(C)c2ccc3nc(Nc4cc(CN)ccn4)sc3n2)cc1.
What is the InChIKey of 2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
The InChIKey is FKJNQXNTFDBNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S/c1-13-3-5-15(6-4-13)26(2)18-8-7-16-19(25-18)27-20(23-16)24-17-11-14(12-21)9-10-22-17/h3-11H,12,21H2,1-2H3,(H,22,23,24).
What are the key properties of 2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine?
2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine has a molecular weight of 376.49 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(aminomethyl)-2-pyridinyl]-5-N-methyl-5-N-(4-methylphenyl)-[1,3]thiazolo[5,4-b]pyridine-2,5-diamine is sourced from PubChem (CID 87812424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).