4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide

C11H18N4OS — CID 79681565

IUPAC4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide
SMILESCCn1cc(CN2CCOC(C(N)=S)C2)cn1
InChIInChI=1S/C11H18N4OS/c1-2-15-7-9(5-13-15)6-14-3-4-16-10(8-14)11(12)17/h5,7,10H,2-4,6,8H2,1H3,(H2,12,17)
InChIKeyXTVLVIZGAPHJLE-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.39
Rot. Bonds4

About 4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide

4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide (PubChem CID 79681565) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide
PubChem CID79681565
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide
SMILESCCn1cc(CN2CCOC(C(N)=S)C2)cn1
InChIInChI=1S/C11H18N4OS/c1-2-15-7-9(5-13-15)6-14-3-4-16-10(8-14)11(12)17/h5,7,10H,2-4,6,8H2,1H3,(H2,12,17)
InChIKeyXTVLVIZGAPHJLE-UHFFFAOYSA-N
XLogP0.39
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 79666666
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
4-[(4-iodophenyl)methyl]morpholine-2-carbothioamide
CID 79680838
4-[(1-methyltriazol-4-yl)methyl]morpholine-2-carbothioamide
CID 107042983
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanethioamide
CID 63336434
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79666951
4-(pyridin-2-ylmethyl)morpholine-2-carbothioamide
CID 79680850
(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone
CID 79669008
2-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115883006
4-[(2,6-dichlorophenyl)methyl]morpholine-2-carbothioamide
CID 79681122
[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95323209
4-[(2,5-dimethylphenyl)methyl]morpholine-2-carbothioamide
CID 79681213

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide (CID 79681565) is 4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide is CCn1cc(CN2CCOC(C(N)=S)C2)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide?
The InChIKey is XTVLVIZGAPHJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-15-7-9(5-13-15)6-14-3-4-16-10(8-14)11(12)17/h5,7,10H,2-4,6,8H2,1H3,(H2,12,17).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide?
4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide has a molecular weight of 254.36 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)methyl]morpholine-2-carbothioamide is sourced from PubChem (CID 79681565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).