N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

C24H22F2N6S — CID 155562337

IUPACN-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)ccc1F
InChIInChI=1S/C24H22F2N6S/c1-14-18(26)6-7-20(29-14)31-24-28-13-10-19(30-24)22-21(15-2-4-17(25)5-3-15)32-23(33-22)16-8-11-27-12-9-16/h2-7,10,13,16,27H,8-9,11-12H2,1H3,(H,28,29,30,31)
InChIKeyZWDIDKUSTKOXBW-UHFFFAOYSA-N
MW464.55 g/mol
LogP5.46
Rot. Bonds5

About N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 155562337) has the molecular formula C24H22F2N6S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID155562337
Molecular FormulaC24H22F2N6S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC NameN-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)ccc1F
InChIInChI=1S/C24H22F2N6S/c1-14-18(26)6-7-20(29-14)31-24-28-13-10-19(30-24)22-21(15-2-4-17(25)5-3-15)32-23(33-22)16-8-11-27-12-9-16/h2-7,10,13,16,27H,8-9,11-12H2,1H3,(H,28,29,30,31)
InChIKeyZWDIDKUSTKOXBW-UHFFFAOYSA-N
XLogP5.46
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 155562337) is N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1nc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)ccc1F.
What is the InChIKey of N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is ZWDIDKUSTKOXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6S/c1-14-18(26)6-7-20(29-14)31-24-28-13-10-19(30-24)22-21(15-2-4-17(25)5-3-15)32-23(33-22)16-8-11-27-12-9-16/h2-7,10,13,16,27H,8-9,11-12H2,1H3,(H,28,29,30,31).
What are the key properties of N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 464.55 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 155562337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).