1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone

C17H18FN3O2S — CID 42535791

IUPAC1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2sc(-c3ccccc3F)nc2C)CC1
InChIInChI=1S/C17H18FN3O2S/c1-11-15(17(23)21-9-7-20(8-10-21)12(2)22)24-16(19-11)13-5-3-4-6-14(13)18/h3-6H,7-10H2,1-2H3
InChIKeyXWJFTJDGXQFKCZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.56
Rot. Bonds2

About 1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone (PubChem CID 42535791) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
PubChem CID42535791
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2sc(-c3ccccc3F)nc2C)CC1
InChIInChI=1S/C17H18FN3O2S/c1-11-15(17(23)21-9-7-20(8-10-21)12(2)22)24-16(19-11)13-5-3-4-6-14(13)18/h3-6H,7-10H2,1-2H3
InChIKeyXWJFTJDGXQFKCZ-UHFFFAOYSA-N
XLogP2.56
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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CID 54583639
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone (CID 42535791) is 1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2sc(-c3ccccc3F)nc2C)CC1.
What is the InChIKey of 1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is XWJFTJDGXQFKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-11-15(17(23)21-9-7-20(8-10-21)12(2)22)24-16(19-11)13-5-3-4-6-14(13)18/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 347.42 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 42535791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).