5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

C23H23N5OS — CID 52947470

IUPAC5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3ccccc3OCC)nc(-c3ccccn3)n2)s1
InChIInChI=1S/C23H23N5OS/c1-3-12-25-23-26-15-21(30-23)19-14-18(16-9-5-6-11-20(16)29-4-2)27-22(28-19)17-10-7-8-13-24-17/h5-11,13-15H,3-4,12H2,1-2H3,(H,25,26)
InChIKeyFUNXZJWLKSWALG-UHFFFAOYSA-N
MW417.54 g/mol
LogP5.55
Rot. Bonds8

About 5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 52947470) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is 5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
PubChem CID52947470
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3ccccc3OCC)nc(-c3ccccn3)n2)s1
InChIInChI=1S/C23H23N5OS/c1-3-12-25-23-26-15-21(30-23)19-14-18(16-9-5-6-11-20(16)29-4-2)27-22(28-19)17-10-7-8-13-24-17/h5-11,13-15H,3-4,12H2,1-2H3,(H,25,26)
InChIKeyFUNXZJWLKSWALG-UHFFFAOYSA-N
XLogP5.55
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.54
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (CID 52947470) is 5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2cc(-c3ccccc3OCC)nc(-c3ccccn3)n2)s1.
What is the InChIKey of 5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is FUNXZJWLKSWALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-3-12-25-23-26-15-21(30-23)19-14-18(16-9-5-6-11-20(16)29-4-2)27-22(28-19)17-10-7-8-13-24-17/h5-11,13-15H,3-4,12H2,1-2H3,(H,25,26).
What are the key properties of 5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 417.54 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 52947470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).