4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide

C10H14N4O2S — CID 79674149

IUPAC4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide
SMILESCn1cc(C(=O)N2CCOC(C(N)=S)C2)cn1
InChIInChI=1S/C10H14N4O2S/c1-13-5-7(4-12-13)10(15)14-2-3-16-8(6-14)9(11)17/h4-5,8H,2-3,6H2,1H3,(H2,11,17)
InChIKeyFSSOZECUHRIEHP-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.45
Rot. Bonds2

About 4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide

4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide (PubChem CID 79674149) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide
PubChem CID79674149
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide
SMILESCn1cc(C(=O)N2CCOC(C(N)=S)C2)cn1
InChIInChI=1S/C10H14N4O2S/c1-13-5-7(4-12-13)10(15)14-2-3-16-8(6-14)9(11)17/h4-5,8H,2-3,6H2,1H3,(H2,11,17)
InChIKeyFSSOZECUHRIEHP-UHFFFAOYSA-N
XLogP-0.45
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 81424177
4-(3,5-difluorobenzoyl)morpholine-2-carbothioamide
CID 79675366
4-(2,5-dimethylpyrazole-3-carbonyl)morpholine-2-carbothioamide
CID 79674499
4-(2,4,6-trimethylbenzoyl)morpholine-2-carbothioamide
CID 79674045
4-(5-iodothiophene-3-carbonyl)morpholine-2-carbothioamide
CID 79693855
4-(3-fluoro-4-methylbenzoyl)morpholine-2-carbothioamide
CID 79675097
4-(3-bromobenzoyl)morpholine-2-carbothioamide
CID 79674488
4-(3-chloro-4-hydroxybenzoyl)morpholine-2-carbothioamide
CID 79674323
4-(3-bromo-4-chlorobenzoyl)morpholine-2-carbothioamide
CID 107999080
[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110104959
(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63755993
4-(1,3-thiazole-4-carbonyl)morpholine-2-carbothioamide
CID 79674305

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide (CID 79674149) is 4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide is Cn1cc(C(=O)N2CCOC(C(N)=S)C2)cn1.
What is the InChIKey of 4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide?
The InChIKey is FSSOZECUHRIEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-13-5-7(4-12-13)10(15)14-2-3-16-8(6-14)9(11)17/h4-5,8H,2-3,6H2,1H3,(H2,11,17).
What are the key properties of 4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide?
4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide has a molecular weight of 254.31 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazole-4-carbonyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79674149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).