1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one

C17H20FN3OS — CID 110332735

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nc(CCC(=O)N2CCN(c3ccccc3F)CC2)cs1
InChIInChI=1S/C17H20FN3OS/c1-13-19-14(12-23-13)6-7-17(22)21-10-8-20(9-11-21)16-5-3-2-4-15(16)18/h2-5,12H,6-11H2,1H3
InChIKeyUNPMFRIHNZCTJK-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.87
Rot. Bonds4

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 110332735) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
PubChem CID110332735
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
SMILESCc1nc(CCC(=O)N2CCN(c3ccccc3F)CC2)cs1
InChIInChI=1S/C17H20FN3OS/c1-13-19-14(12-23-13)6-7-17(22)21-10-8-20(9-11-21)16-5-3-2-4-15(16)18/h2-5,12H,6-11H2,1H3
InChIKeyUNPMFRIHNZCTJK-UHFFFAOYSA-N
XLogP2.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 110330025
3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110332738
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 154828993
[4-(2-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
CID 24624238
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone
CID 110386231
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 38765548
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 110386746
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 84561418
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110407680
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylpropylamino)propan-1-one
CID 109012792
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one (CID 110332735) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one is Cc1nc(CCC(=O)N2CCN(c3ccccc3F)CC2)cs1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is UNPMFRIHNZCTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-13-19-14(12-23-13)6-7-17(22)21-10-8-20(9-11-21)16-5-3-2-4-15(16)18/h2-5,12H,6-11H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one?
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 333.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 110332735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).