4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one

C20H27N3O3S — CID 51338359

IUPAC4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCC(O)CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C20H27N3O3S/c1-16(24)2-3-17-4-6-19(7-5-17)26-15-18(25)14-22-9-11-23(12-10-22)20-21-8-13-27-20/h4-8,13,18,25H,2-3,9-12,14-15H2,1H3
InChIKeyKUMNRNSFAHFFOF-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.23
Rot. Bonds9

About 4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one

4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one (PubChem CID 51338359) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one
PubChem CID51338359
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCC(O)CN2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C20H27N3O3S/c1-16(24)2-3-17-4-6-19(7-5-17)26-15-18(25)14-22-9-11-23(12-10-22)20-21-8-13-27-20/h4-8,13,18,25H,2-3,9-12,14-15H2,1H3
InChIKeyKUMNRNSFAHFFOF-UHFFFAOYSA-N
XLogP2.23
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one with MolForge

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Related Compounds

1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 51312086
(2R)-1-(3-nitrophenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 31688819
1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 2769804
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136674
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
CID 21237668
4-[4-(3-ethoxy-2-hydroxypropoxy)phenyl]butan-2-one
CID 63932166
1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
CID 2769805
2-[4-[6-(4-ethylphenoxy)hexyl]piperazin-1-yl]-1,3-thiazole
CID 57388883
(2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 25490234
N-[4-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)phenyl]acetamide chloride
CID 46863837

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one?
The IUPAC name of 4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one (CID 51338359) is 4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one.
What is the SMILES notation for 4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one?
The canonical SMILES for 4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one is CC(=O)CCc1ccc(OCC(O)CN2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of 4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one?
The InChIKey is KUMNRNSFAHFFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-16(24)2-3-17-4-6-19(7-5-17)26-15-18(25)14-22-9-11-23(12-10-22)20-21-8-13-27-20/h4-8,13,18,25H,2-3,9-12,14-15H2,1H3.
What are the key properties of 4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one?
4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one has a molecular weight of 389.52 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-hydroxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propoxy]phenyl]butan-2-one is sourced from PubChem (CID 51338359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).