4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine

C23H21FN6S — CID 155518294

IUPAC4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C23H21FN6S/c24-17-6-4-15(5-7-17)20-21(31-22(30-20)16-8-12-25-13-9-16)18-10-14-27-23(28-18)29-19-3-1-2-11-26-19/h1-7,10-11,14,16,25H,8-9,12-13H2,(H,26,27,28,29)
InChIKeyOQTSWHFEINHPDZ-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.01
Rot. Bonds5

About 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine (PubChem CID 155518294) has the molecular formula C23H21FN6S and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine
PubChem CID155518294
Molecular FormulaC23H21FN6S
Molecular Weight432.53 g/mol
Exact Mass432.15
IUPAC Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3ccccn3)n2)cc1
InChIInChI=1S/C23H21FN6S/c24-17-6-4-15(5-7-17)20-21(31-22(30-20)16-8-12-25-13-9-16)18-10-14-27-23(28-18)29-19-3-1-2-11-26-19/h1-7,10-11,14,16,25H,8-9,12-13H2,(H,26,27,28,29)
InChIKeyOQTSWHFEINHPDZ-UHFFFAOYSA-N
XLogP5.01
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine (CID 155518294) is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine is Fc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3ccccn3)n2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is OQTSWHFEINHPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6S/c24-17-6-4-15(5-7-17)20-21(31-22(30-20)16-8-12-25-13-9-16)18-10-14-27-23(28-18)29-19-3-1-2-11-26-19/h1-7,10-11,14,16,25H,8-9,12-13H2,(H,26,27,28,29).
What are the key properties of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine?
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 432.53 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 155518294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).