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

C24H24FN7OS — CID 155538871

IUPACN-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCCOc1nccc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C24H24FN7OS/c1-2-33-24-28-14-10-19(31-24)30-23-27-13-9-18(29-23)21-20(15-3-5-17(25)6-4-15)32-22(34-21)16-7-11-26-12-8-16/h3-6,9-10,13-14,16,26H,2,7-8,11-12H2,1H3,(H,27,28,29,30,31)
InChIKeyPAZWBDMSCNVJPQ-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.81
Rot. Bonds7

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

N-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 155538871) has the molecular formula C24H24FN7OS and a molecular weight of 477.57 g/mol. Its IUPAC name is N-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID155538871
Molecular FormulaC24H24FN7OS
Molecular Weight477.57 g/mol
Exact Mass477.17
IUPAC NameN-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCCOc1nccc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C24H24FN7OS/c1-2-33-24-28-14-10-19(31-24)30-23-27-13-9-18(29-23)21-20(15-3-5-17(25)6-4-15)32-22(34-21)16-7-11-26-12-8-16/h3-6,9-10,13-14,16,26H,2,7-8,11-12H2,1H3,(H,27,28,29,30,31)
InChIKeyPAZWBDMSCNVJPQ-UHFFFAOYSA-N
XLogP4.81
TPSA97.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 155538871) is N-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is CCOc1nccc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)n1.
What is the InChIKey of N-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is PAZWBDMSCNVJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7OS/c1-2-33-24-28-14-10-19(31-24)30-23-27-13-9-18(29-23)21-20(15-3-5-17(25)6-4-15)32-22(34-21)16-7-11-26-12-8-16/h3-6,9-10,13-14,16,26H,2,7-8,11-12H2,1H3,(H,27,28,29,30,31).
What are the key properties of N-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
N-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 477.57 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypyrimidin-4-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 155538871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).