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

C23H22N4O2S — CID 71615459

IUPAC4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOCCOc1cc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)ccn1
InChIInChI=1S/C23H22N4O2S/c1-16-4-3-5-21(25-16)27-23-26-20(15-30-23)18-8-6-17(7-9-18)19-10-11-24-22(14-19)29-13-12-28-2/h3-11,14-15H,12-13H2,1-2H3,(H,25,26,27)
InChIKeyBEVXHHZSHJDEKR-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.34
Rot. Bonds8

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

4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 71615459) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID71615459
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOCCOc1cc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)ccn1
InChIInChI=1S/C23H22N4O2S/c1-16-4-3-5-21(25-16)27-23-26-20(15-30-23)18-8-6-17(7-9-18)19-10-11-24-22(14-19)29-13-12-28-2/h3-11,14-15H,12-13H2,1-2H3,(H,25,26,27)
InChIKeyBEVXHHZSHJDEKR-UHFFFAOYSA-N
XLogP5.34
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 71615459) is 4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is COCCOc1cc(-c2ccc(-c3csc(Nc4cccc(C)n4)n3)cc2)ccn1.
What is the InChIKey of 4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is BEVXHHZSHJDEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-16-4-3-5-21(25-16)27-23-26-20(15-30-23)18-8-6-17(7-9-18)19-10-11-24-22(14-19)29-13-12-28-2/h3-11,14-15H,12-13H2,1-2H3,(H,25,26,27).
What are the key properties of 4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 418.52 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-methoxyethoxy)-4-pyridinyl]phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 71615459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).