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

C22H20FN7S — CID 155518287

IUPAC4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrazin-2-ylpyrimidin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3cnccn3)n2)cc1
InChIInChI=1S/C22H20FN7S/c23-16-3-1-14(2-4-16)19-20(31-21(30-19)15-5-8-24-9-6-15)17-7-10-27-22(28-17)29-18-13-25-11-12-26-18/h1-4,7,10-13,15,24H,5-6,8-9H2,(H,26,27,28,29)
InChIKeyQBFVRKFCKRVPST-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.41
Rot. Bonds5

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

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrazin-2-ylpyrimidin-2-amine (PubChem CID 155518287) has the molecular formula C22H20FN7S and a molecular weight of 433.52 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrazin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrazin-2-ylpyrimidin-2-amine
PubChem CID155518287
Molecular FormulaC22H20FN7S
Molecular Weight433.52 g/mol
Exact Mass433.15
IUPAC Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrazin-2-ylpyrimidin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3cnccn3)n2)cc1
InChIInChI=1S/C22H20FN7S/c23-16-3-1-14(2-4-16)19-20(31-21(30-19)15-5-8-24-9-6-15)17-7-10-27-22(28-17)29-18-13-25-11-12-26-18/h1-4,7,10-13,15,24H,5-6,8-9H2,(H,26,27,28,29)
InChIKeyQBFVRKFCKRVPST-UHFFFAOYSA-N
XLogP4.41
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-pyrazin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrazin-2-ylpyrimidin-2-amine (CID 155518287) is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrazin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrazin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrazin-2-ylpyrimidin-2-amine is Fc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3cnccn3)n2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrazin-2-ylpyrimidin-2-amine?
The InChIKey is QBFVRKFCKRVPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7S/c23-16-3-1-14(2-4-16)19-20(31-21(30-19)15-5-8-24-9-6-15)17-7-10-27-22(28-17)29-18-13-25-11-12-26-18/h1-4,7,10-13,15,24H,5-6,8-9H2,(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-pyrazin-2-ylpyrimidin-2-amine?
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyrazin-2-ylpyrimidin-2-amine has a molecular weight of 433.52 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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-pyrazin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 155518287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).