[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

C23H25N3O3S — CID 86905301

IUPAC[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCc2cscn2)c1)N1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O3S/c27-22(18-5-2-1-3-6-18)14-25-9-11-26(12-10-25)23(28)19-7-4-8-21(13-19)29-15-20-16-30-17-24-20/h1-8,13,16-17,22,27H,9-12,14-15H2
InChIKeyCMCPNHMWBFLEKS-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.21
Rot. Bonds7

About [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (PubChem CID 86905301) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
PubChem CID86905301
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCc2cscn2)c1)N1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C23H25N3O3S/c27-22(18-5-2-1-3-6-18)14-25-9-11-26(12-10-25)23(28)19-7-4-8-21(13-19)29-15-20-16-30-17-24-20/h1-8,13,16-17,22,27H,9-12,14-15H2
InChIKeyCMCPNHMWBFLEKS-UHFFFAOYSA-N
XLogP3.21
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone with MolForge

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Related Compounds

azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134041483
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 55970553
N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 27860198
(3R)-3-methyl-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124695731
3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 55915816
(4-methoxyphenyl)-[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475563
[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone
CID 119880014
N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24682427
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
N-[2-(2-fluorophenyl)ethyl]-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-4-carboxamide
CID 55782323
[4-(2-hydroxyethyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 71944477
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95601881

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The IUPAC name of [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (CID 86905301) is [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The canonical SMILES for [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is O=C(c1cccc(OCc2cscn2)c1)N1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The InChIKey is CMCPNHMWBFLEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c27-22(18-5-2-1-3-6-18)14-25-9-11-26(12-10-25)23(28)19-7-4-8-21(13-19)29-15-20-16-30-17-24-20/h1-8,13,16-17,22,27H,9-12,14-15H2.
What are the key properties of [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone has a molecular weight of 423.54 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 86905301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).