[2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone

C21H20FN3O2S — CID 58924792

IUPAC[2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
SMILESCOc1cccc(F)c1-c1nc(C(=O)N2CCCC[C@H]2c2ccccn2)cs1
InChIInChI=1S/C21H20FN3O2S/c1-27-18-10-6-7-14(22)19(18)20-24-16(13-28-20)21(26)25-12-5-3-9-17(25)15-8-2-4-11-23-15/h2,4,6-8,10-11,13,17H,3,5,9,12H2,1H3/t17-/m0/s1
InChIKeyBYGJMBIJJLDJGU-KRWDZBQOSA-N
MW397.48 g/mol
LogP4.72
Rot. Bonds4

About [2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone

[2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone (PubChem CID 58924792) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is [2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
PubChem CID58924792
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name[2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
SMILESCOc1cccc(F)c1-c1nc(C(=O)N2CCCC[C@H]2c2ccccn2)cs1
InChIInChI=1S/C21H20FN3O2S/c1-27-18-10-6-7-14(22)19(18)20-24-16(13-28-20)21(26)25-12-5-3-9-17(25)15-8-2-4-11-23-15/h2,4,6-8,10-11,13,17H,3,5,9,12H2,1H3/t17-/m0/s1
InChIKeyBYGJMBIJJLDJGU-KRWDZBQOSA-N
XLogP4.72
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The IUPAC name of [2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone (CID 58924792) is [2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone is COc1cccc(F)c1-c1nc(C(=O)N2CCCC[C@H]2c2ccccn2)cs1.
What is the InChIKey of [2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The InChIKey is BYGJMBIJJLDJGU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-27-18-10-6-7-14(22)19(18)20-24-16(13-28-20)21(26)25-12-5-3-9-17(25)15-8-2-4-11-23-15/h2,4,6-8,10-11,13,17H,3,5,9,12H2,1H3/t17-/m0/s1.
What are the key properties of [2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone?
[2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-4-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 58924792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).