[3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone

C23H24FN3O2S — CID 68723117

IUPAC[3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1cc(C(=O)C2NC(C)CCC2COc2ccc(F)cn2)cc(-c2nccs2)c1
InChIInChI=1S/C23H24FN3O2S/c1-14-9-17(11-18(10-14)23-25-7-8-30-23)22(28)21-16(4-3-15(2)27-21)13-29-20-6-5-19(24)12-26-20/h5-12,15-16,21,27H,3-4,13H2,1-2H3
InChIKeyRTDGIHMUSVDEHS-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.67
Rot. Bonds6

About [3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone

[3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 68723117) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is [3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID68723117
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name[3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1cc(C(=O)C2NC(C)CCC2COc2ccc(F)cn2)cc(-c2nccs2)c1
InChIInChI=1S/C23H24FN3O2S/c1-14-9-17(11-18(10-14)23-25-7-8-30-23)22(28)21-16(4-3-15(2)27-21)13-29-20-6-5-19(24)12-26-20/h5-12,15-16,21,27H,3-4,13H2,1-2H3
InChIKeyRTDGIHMUSVDEHS-UHFFFAOYSA-N
XLogP4.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of [3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone (CID 68723117) is [3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for [3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone is Cc1cc(C(=O)C2NC(C)CCC2COc2ccc(F)cn2)cc(-c2nccs2)c1.
What is the InChIKey of [3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is RTDGIHMUSVDEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-14-9-17(11-18(10-14)23-25-7-8-30-23)22(28)21-16(4-3-15(2)27-21)13-29-20-6-5-19(24)12-26-20/h5-12,15-16,21,27H,3-4,13H2,1-2H3.
What are the key properties of [3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone?
[3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 425.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-fluoro-2-pyridinyl)oxymethyl]-6-methylpiperidin-2-yl]-[3-methyl-5-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 68723117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).