4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide

C17H26N4O2S — CID 8627121

IUPAC4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
SMILESOc1ccccc1N1CCN(C(=S)NCCN2CCOCC2)CC1
InChIInChI=1S/C17H26N4O2S/c22-16-4-2-1-3-15(16)20-7-9-21(10-8-20)17(24)18-5-6-19-11-13-23-14-12-19/h1-4,22H,5-14H2,(H,18,24)
InChIKeyQXJBDJNLXYUPCQ-UHFFFAOYSA-N
MW350.49 g/mol
LogP0.72
Rot. Bonds4

About 4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide

4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide (PubChem CID 8627121) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
PubChem CID8627121
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
SMILESOc1ccccc1N1CCN(C(=S)NCCN2CCOCC2)CC1
InChIInChI=1S/C17H26N4O2S/c22-16-4-2-1-3-15(16)20-7-9-21(10-8-20)17(24)18-5-6-19-11-13-23-14-12-19/h1-4,22H,5-14H2,(H,18,24)
InChIKeyQXJBDJNLXYUPCQ-UHFFFAOYSA-N
XLogP0.72
TPSA51.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide
CID 4518994
4-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide
CID 8626825
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-2-oxoacetamide
CID 108517573
ethane;N-(2-morpholin-4-ylethyl)-4-[3-(1,2-oxazolidin-2-ylmethyl)phenyl]piperazine-1-carbothioamide
CID 143170295
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
4-(2-hydroxyphenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide
CID 17374145
4-(2-hydroxyphenyl)-N'-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazine-1-carboximidamide
CID 111184594
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
N-(2,3-dimethylphenyl)-2-[4-(2-morpholin-4-ylethylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215225
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111186066
N-(3-morpholin-4-ylpropyl)azepane-1-carbothioamide
CID 43384645

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide (CID 8627121) is 4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide is Oc1ccccc1N1CCN(C(=S)NCCN2CCOCC2)CC1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide?
The InChIKey is QXJBDJNLXYUPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c22-16-4-2-1-3-15(16)20-7-9-21(10-8-20)17(24)18-5-6-19-11-13-23-14-12-19/h1-4,22H,5-14H2,(H,18,24).
What are the key properties of 4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide?
4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide has a molecular weight of 350.49 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide is sourced from PubChem (CID 8627121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).