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

C22H22FN3OS — CID 110412266

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)cs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H22FN3OS/c23-18-6-8-19(9-7-18)25-12-14-26(15-13-25)22(27)11-10-21-24-20(16-28-21)17-4-2-1-3-5-17/h1-9,16H,10-15H2
InChIKeyWDIKNWJUWYILES-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.23
Rot. Bonds5

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

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one (PubChem CID 110412266) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
PubChem CID110412266
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccccc2)cs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H22FN3OS/c23-18-6-8-19(9-7-18)25-12-14-26(15-13-25)22(27)11-10-21-24-20(16-28-21)17-4-2-1-3-5-17/h1-9,16H,10-15H2
InChIKeyWDIKNWJUWYILES-UHFFFAOYSA-N
XLogP4.23
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenylpiperazin-1-yl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propan-1-one
CID 110648647
1-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoyl]piperidine-4-carboxamide
CID 110675566
2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1447304
3-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110648650
1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647606
3-(4-phenyl-1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110628802
1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 56687363
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one
CID 110633932
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 8967237
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 70756746
1-[3-(4-fluorophenyl)propanoyl]-4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 23600320

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one (CID 110412266) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nc(-c2ccccc2)cs1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one?
The InChIKey is WDIKNWJUWYILES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c23-18-6-8-19(9-7-18)25-12-14-26(15-13-25)22(27)11-10-21-24-20(16-28-21)17-4-2-1-3-5-17/h1-9,16H,10-15H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one has a molecular weight of 395.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-phenyl-1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 110412266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).