(2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C18H21FN2O2S — CID 124890634

IUPAC(2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCO[C@](C)(C(=O)N1CCC(c2nccs2)CC1)c1ccccc1F
InChIInChI=1S/C18H21FN2O2S/c1-18(23-2,14-5-3-4-6-15(14)19)17(22)21-10-7-13(8-11-21)16-20-9-12-24-16/h3-6,9,12-13H,7-8,10-11H2,1-2H3/t18-/m0/s1
InChIKeyXOYJTOQMRREODS-SFHVURJKSA-N
MW348.44 g/mol
LogP3.55
Rot. Bonds4

About (2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

(2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 124890634) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID124890634
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name(2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCO[C@](C)(C(=O)N1CCC(c2nccs2)CC1)c1ccccc1F
InChIInChI=1S/C18H21FN2O2S/c1-18(23-2,14-5-3-4-6-15(14)19)17(22)21-10-7-13(8-11-21)16-20-9-12-24-16/h3-6,9,12-13H,7-8,10-11H2,1-2H3/t18-/m0/s1
InChIKeyXOYJTOQMRREODS-SFHVURJKSA-N
XLogP3.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 124890634) is (2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is CO[C@](C)(C(=O)N1CCC(c2nccs2)CC1)c1ccccc1F.
What is the InChIKey of (2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is XOYJTOQMRREODS-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-18(23-2,14-5-3-4-6-15(14)19)17(22)21-10-7-13(8-11-21)16-20-9-12-24-16/h3-6,9,12-13H,7-8,10-11H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
(2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 348.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)-2-methoxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124890634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).