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

C21H21FN4OS — CID 110328952

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2ccccn2)sc1CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4OS/c1-15-19(28-21(24-15)18-4-2-3-9-23-18)14-20(27)26-12-10-25(11-13-26)17-7-5-16(22)6-8-17/h2-9H,10-14H2,1H3
InChIKeyGYZUHRKVNCWLDE-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.54
Rot. Bonds4

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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 110328952) has the molecular formula C21H21FN4OS and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
PubChem CID110328952
Molecular FormulaC21H21FN4OS
Molecular Weight396.49 g/mol
Exact Mass396.14
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2ccccn2)sc1CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H21FN4OS/c1-15-19(28-21(24-15)18-4-2-3-9-23-18)14-20(27)26-12-10-25(11-13-26)17-7-5-16(22)6-8-17/h2-9H,10-14H2,1H3
InChIKeyGYZUHRKVNCWLDE-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
CID 110328975
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
CID 110329331
N-(3-fluorophenyl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110329008
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 27049046
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone
CID 110328829
2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 84561355
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
N-benzyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328924
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 110368132
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 50753541
1-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 7597390

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone (CID 110328952) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone is Cc1nc(-c2ccccn2)sc1CC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is GYZUHRKVNCWLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4OS/c1-15-19(28-21(24-15)18-4-2-3-9-23-18)14-20(27)26-12-10-25(11-13-26)17-7-5-16(22)6-8-17/h2-9H,10-14H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 396.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 110328952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).