4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C25H26N6S — CID 89423074

IUPAC4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3)cs2)n1
InChIInChI=1S/C25H26N6S/c1-18-4-3-5-23(27-18)29-25-28-22(17-32-25)20-8-6-19(7-9-20)21-10-11-24(26-16-21)31-14-12-30(2)13-15-31/h3-11,16-17H,12-15H2,1-2H3,(H,27,28,29)
InChIKeyHEZFHQCYDRXLHN-UHFFFAOYSA-N
MW442.59 g/mol
LogP5.07
Rot. Bonds5

About 4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 89423074) has the molecular formula C25H26N6S and a molecular weight of 442.59 g/mol. Its IUPAC name is 4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID89423074
Molecular FormulaC25H26N6S
Molecular Weight442.59 g/mol
Exact Mass442.19
IUPAC Name4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3)cs2)n1
InChIInChI=1S/C25H26N6S/c1-18-4-3-5-23(27-18)29-25-28-22(17-32-25)20-8-6-19(7-9-20)21-10-11-24(26-16-21)31-14-12-30(2)13-15-31/h3-11,16-17H,12-15H2,1-2H3,(H,27,28,29)
InChIKeyHEZFHQCYDRXLHN-UHFFFAOYSA-N
XLogP5.07
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.59
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 89423074) is 4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(-c4ccc(N5CCN(C)CC5)nc4)cc3)cs2)n1.
What is the InChIKey of 4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is HEZFHQCYDRXLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6S/c1-18-4-3-5-23(27-18)29-25-28-22(17-32-25)20-8-6-19(7-9-20)21-10-11-24(26-16-21)31-14-12-30(2)13-15-31/h3-11,16-17H,12-15H2,1-2H3,(H,27,28,29).
What are the key properties of 4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 442.59 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89423074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).