3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

C17H22FN3OS — CID 71986172

IUPAC3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC1CN=C(N2CCN(C(=O)CCc3cccc(F)c3)CC2)S1
InChIInChI=1S/C17H22FN3OS/c1-13-12-19-17(23-13)21-9-7-20(8-10-21)16(22)6-5-14-3-2-4-15(18)11-14/h2-4,11,13H,5-10,12H2,1H3
InChIKeySRGHFCBHEQIIHL-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.39
Rot. Bonds3

About 3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 71986172) has the molecular formula C17H22FN3OS and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID71986172
Molecular FormulaC17H22FN3OS
Molecular Weight335.45 g/mol
Exact Mass335.15
IUPAC Name3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC1CN=C(N2CCN(C(=O)CCc3cccc(F)c3)CC2)S1
InChIInChI=1S/C17H22FN3OS/c1-13-12-19-17(23-13)21-9-7-20(8-10-21)16(22)6-5-14-3-2-4-15(18)11-14/h2-4,11,13H,5-10,12H2,1H3
InChIKeySRGHFCBHEQIIHL-UHFFFAOYSA-N
XLogP2.39
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 86853553
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 87046447
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110726946
3-(3-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110604595
3-(3-fluorophenyl)-1-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110604610
3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 110662361
1-[4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797745
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 110604596
1-(4-benzoyl-1,4-diazepan-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 110798188
ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 110675452

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (CID 71986172) is 3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is CC1CN=C(N2CCN(C(=O)CCc3cccc(F)c3)CC2)S1.
What is the InChIKey of 3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is SRGHFCBHEQIIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3OS/c1-13-12-19-17(23-13)21-9-7-20(8-10-21)16(22)6-5-14-3-2-4-15(18)11-14/h2-4,11,13H,5-10,12H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 335.45 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 71986172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).