5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine

C24H23FN6S — CID 164625616

IUPAC5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCc1cc(Nc2ncc(-c3nc(C4CCNCC4)sc3-c3ccc(F)cc3)cn2)ccn1
InChIInChI=1S/C24H23FN6S/c1-15-12-20(8-11-27-15)30-24-28-13-18(14-29-24)21-22(16-2-4-19(25)5-3-16)32-23(31-21)17-6-9-26-10-7-17/h2-5,8,11-14,17,26H,6-7,9-10H2,1H3,(H,27,28,29,30)
InChIKeyQFDXILSCGSIVBJ-UHFFFAOYSA-N
MW446.56 g/mol
LogP5.32
Rot. Bonds5

About 5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine

5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine (PubChem CID 164625616) has the molecular formula C24H23FN6S and a molecular weight of 446.56 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine
PubChem CID164625616
Molecular FormulaC24H23FN6S
Molecular Weight446.56 g/mol
Exact Mass446.17
IUPAC Name5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCc1cc(Nc2ncc(-c3nc(C4CCNCC4)sc3-c3ccc(F)cc3)cn2)ccn1
InChIInChI=1S/C24H23FN6S/c1-15-12-20(8-11-27-15)30-24-28-13-18(14-29-24)21-22(16-2-4-19(25)5-3-16)32-23(31-21)17-6-9-26-10-7-17/h2-5,8,11-14,17,26H,6-7,9-10H2,1H3,(H,27,28,29,30)
InChIKeyQFDXILSCGSIVBJ-UHFFFAOYSA-N
XLogP5.32
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine (CID 164625616) is 5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine is Cc1cc(Nc2ncc(-c3nc(C4CCNCC4)sc3-c3ccc(F)cc3)cn2)ccn1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
The InChIKey is QFDXILSCGSIVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6S/c1-15-12-20(8-11-27-15)30-24-28-13-18(14-29-24)21-22(16-2-4-19(25)5-3-16)32-23(31-21)17-6-9-26-10-7-17/h2-5,8,11-14,17,26H,6-7,9-10H2,1H3,(H,27,28,29,30).
What are the key properties of 5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine has a molecular weight of 446.56 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 164625616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).