3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one

C19H26FN3O3S — CID 90948221

IUPAC3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one
SMILESCC(C)Oc1c(F)cccc1N1CCN(CCCn2c(O)csc2=O)CC1
InChIInChI=1S/C19H26FN3O3S/c1-14(2)26-18-15(20)5-3-6-16(18)22-11-9-21(10-12-22)7-4-8-23-17(24)13-27-19(23)25/h3,5-6,13-14,24H,4,7-12H2,1-2H3
InChIKeyXXYDGLCCTPLSHJ-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.75
Rot. Bonds7

About 3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one

3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one (PubChem CID 90948221) has the molecular formula C19H26FN3O3S and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one
PubChem CID90948221
Molecular FormulaC19H26FN3O3S
Molecular Weight395.50 g/mol
Exact Mass395.17
IUPAC Name3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one
SMILESCC(C)Oc1c(F)cccc1N1CCN(CCCn2c(O)csc2=O)CC1
InChIInChI=1S/C19H26FN3O3S/c1-14(2)26-18-15(20)5-3-6-16(18)22-11-9-21(10-12-22)7-4-8-23-17(24)13-27-19(23)25/h3,5-6,13-14,24H,4,7-12H2,1-2H3
InChIKeyXXYDGLCCTPLSHJ-UHFFFAOYSA-N
XLogP2.75
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(cyclopropylamino)-1-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-methylpyrrolidine-2,5-dione
CID 11178334
1-[3-[4-(3-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3-methylpyrrole-2,5-diol
CID 90973410
2-[3-[4-(3-hydroxy-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroisoindole-1,3-diol
CID 91377008
3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 11430348
1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3-[(propan-2-ylamino)methyl]pyrrole-2,5-diol
CID 91490823
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012608
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CID 91398766
2-[4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazin-1-yl]phenol
CID 122157490
1-[3-[4-(2-hydroxy-6-propan-2-yloxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-dione
CID 10249759
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
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CID 60918157
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one (CID 90948221) is 3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one is CC(C)Oc1c(F)cccc1N1CCN(CCCn2c(O)csc2=O)CC1.
What is the InChIKey of 3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is XXYDGLCCTPLSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3S/c1-14(2)26-18-15(20)5-3-6-16(18)22-11-9-21(10-12-22)7-4-8-23-17(24)13-27-19(23)25/h3,5-6,13-14,24H,4,7-12H2,1-2H3.
What are the key properties of 3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one?
3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 395.50 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 90948221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).