[3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol

C20H21FN4OS — CID 110220772

IUPAC[3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)c1cccc(F)c1N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H21FN4OS/c21-17-6-3-5-16(19(26)20-23-8-13-27-20)18(17)25-11-9-24(10-12-25)14-15-4-1-2-7-22-15/h1-8,13,19,26H,9-12,14H2
InChIKeyZUYBHJDGBVEXBY-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.08
Rot. Bonds5

About [3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol

[3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol (PubChem CID 110220772) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is [3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
PubChem CID110220772
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name[3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)c1cccc(F)c1N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C20H21FN4OS/c21-17-6-3-5-16(19(26)20-23-8-13-27-20)18(17)25-11-9-24(10-12-25)14-15-4-1-2-7-22-15/h1-8,13,19,26H,9-12,14H2
InChIKeyZUYBHJDGBVEXBY-UHFFFAOYSA-N
XLogP3.08
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of [3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol (CID 110220772) is [3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for [3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol is OC(c1nccs1)c1cccc(F)c1N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of [3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is ZUYBHJDGBVEXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c21-17-6-3-5-16(19(26)20-23-8-13-27-20)18(17)25-11-9-24(10-12-25)14-15-4-1-2-7-22-15/h1-8,13,19,26H,9-12,14H2.
What are the key properties of [3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol?
[3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol has a molecular weight of 384.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 110220772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).