2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole

C18H24FN5S — CID 25014210

IUPAC2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
SMILESCc1ncc(F)c(N2CCC(C3CCN(c4nccs4)CC3)CC2)n1
InChIInChI=1S/C18H24FN5S/c1-13-21-12-16(19)17(22-13)23-7-2-14(3-8-23)15-4-9-24(10-5-15)18-20-6-11-25-18/h6,11-12,14-15H,2-5,7-10H2,1H3
InChIKeyNZZHMPUPKDZWKI-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.51
Rot. Bonds3

About 2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole

2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole (PubChem CID 25014210) has the molecular formula C18H24FN5S and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
PubChem CID25014210
Molecular FormulaC18H24FN5S
Molecular Weight361.49 g/mol
Exact Mass361.17
IUPAC Name2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
SMILESCc1ncc(F)c(N2CCC(C3CCN(c4nccs4)CC3)CC2)n1
InChIInChI=1S/C18H24FN5S/c1-13-21-12-16(19)17(22-13)23-7-2-14(3-8-23)15-4-9-24(10-5-15)18-20-6-11-25-18/h6,11-12,14-15H,2-5,7-10H2,1H3
InChIKeyNZZHMPUPKDZWKI-UHFFFAOYSA-N
XLogP3.51
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole (CID 25014210) is 2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole is Cc1ncc(F)c(N2CCC(C3CCN(c4nccs4)CC3)CC2)n1.
What is the InChIKey of 2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole?
The InChIKey is NZZHMPUPKDZWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5S/c1-13-21-12-16(19)17(22-13)23-7-2-14(3-8-23)15-4-9-24(10-5-15)18-20-6-11-25-18/h6,11-12,14-15H,2-5,7-10H2,1H3.
What are the key properties of 2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole?
2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole has a molecular weight of 361.49 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-fluoro-2-methylpyrimidin-4-yl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 25014210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).