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

C24H23FN6S — CID 155568798

IUPAC4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)ccn1
InChIInChI=1S/C24H23FN6S/c1-15-14-19(8-12-27-15)29-24-28-13-9-20(30-24)22-21(16-2-4-18(25)5-3-16)31-23(32-22)17-6-10-26-11-7-17/h2-5,8-9,12-14,17,26H,6-7,10-11H2,1H3,(H,27,28,29,30)
InChIKeyZDESNDWWUUVJLG-UHFFFAOYSA-N
MW446.56 g/mol
LogP5.32
Rot. Bonds5

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

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine (PubChem CID 155568798) has the molecular formula C24H23FN6S and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine
PubChem CID155568798
Molecular FormulaC24H23FN6S
Molecular Weight446.56 g/mol
Exact Mass446.17
IUPAC Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)ccn1
InChIInChI=1S/C24H23FN6S/c1-15-14-19(8-12-27-15)29-24-28-13-9-20(30-24)22-21(16-2-4-18(25)5-3-16)31-23(32-22)17-6-10-26-11-7-17/h2-5,8-9,12-14,17,26H,6-7,10-11H2,1H3,(H,27,28,29,30)
InChIKeyZDESNDWWUUVJLG-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine (CID 155568798) is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine is Cc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)ccn1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
The InChIKey is ZDESNDWWUUVJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6S/c1-15-14-19(8-12-27-15)29-24-28-13-9-20(30-24)22-21(16-2-4-18(25)5-3-16)31-23(32-22)17-6-10-26-11-7-17/h2-5,8-9,12-14,17,26H,6-7,10-11H2,1H3,(H,27,28,29,30).
What are the key properties of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-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 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 155568798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).