1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one

C16H19FN4OS — CID 145287348

IUPAC1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2nc(-c3ccc(F)nc3)cs2)CC1
InChIInChI=1S/C16H19FN4OS/c1-11(2)15(22)20-5-7-21(8-6-20)16-19-13(10-23-16)12-3-4-14(17)18-9-12/h3-4,9-11H,5-8H2,1-2H3
InChIKeyICODTZBEJBUZGY-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.65
Rot. Bonds3

About 1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one

1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 145287348) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID145287348
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC Name1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2nc(-c3ccc(F)nc3)cs2)CC1
InChIInChI=1S/C16H19FN4OS/c1-11(2)15(22)20-5-7-21(8-6-20)16-19-13(10-23-16)12-3-4-14(17)18-9-12/h3-4,9-11H,5-8H2,1-2H3
InChIKeyICODTZBEJBUZGY-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one (CID 145287348) is 1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(c2nc(-c3ccc(F)nc3)cs2)CC1.
What is the InChIKey of 1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is ICODTZBEJBUZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS/c1-11(2)15(22)20-5-7-21(8-6-20)16-19-13(10-23-16)12-3-4-14(17)18-9-12/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 334.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-fluoro-3-pyridinyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 145287348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).