[2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone

C20H19FN4O2S — CID 146086210

IUPAC[2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1csc(-c2ncccc2F)n1)N1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C20H19FN4O2S/c21-16-5-2-6-22-18(16)19-23-17(13-28-19)20(27)25-9-7-24(8-10-25)12-14-3-1-4-15(26)11-14/h1-6,11,13,26H,7-10,12H2
InChIKeyFQWHOXHGBMORTO-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.01
Rot. Bonds4

About [2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone

[2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 146086210) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID146086210
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name[2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1csc(-c2ncccc2F)n1)N1CCN(Cc2cccc(O)c2)CC1
InChIInChI=1S/C20H19FN4O2S/c21-16-5-2-6-22-18(16)19-23-17(13-28-19)20(27)25-9-7-24(8-10-25)12-14-3-1-4-15(26)11-14/h1-6,11,13,26H,7-10,12H2
InChIKeyFQWHOXHGBMORTO-UHFFFAOYSA-N
XLogP3.01
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone (CID 146086210) is [2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone is O=C(c1csc(-c2ncccc2F)n1)N1CCN(Cc2cccc(O)c2)CC1.
What is the InChIKey of [2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is FQWHOXHGBMORTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-16-5-2-6-22-18(16)19-23-17(13-28-19)20(27)25-9-7-24(8-10-25)12-14-3-1-4-15(26)11-14/h1-6,11,13,26H,7-10,12H2.
What are the key properties of [2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone?
[2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 398.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 146086210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).