N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide

C7H10N4O2S — CID 79503602

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1[nH]ncc1C(N)=S
InChIInChI=1S/C7H10N4O2S/c1-13-3-5(12)10-7-4(6(8)14)2-9-11-7/h2H,3H2,1H3,(H2,8,14)(H2,9,10,11,12)
InChIKeyJUCLRJKPORTSMD-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.37
Rot. Bonds4

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide (PubChem CID 79503602) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide
PubChem CID79503602
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1[nH]ncc1C(N)=S
InChIInChI=1S/C7H10N4O2S/c1-13-3-5(12)10-7-4(6(8)14)2-9-11-7/h2H,3H2,1H3,(H2,8,14)(H2,9,10,11,12)
InChIKeyJUCLRJKPORTSMD-UHFFFAOYSA-N
XLogP-0.37
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide (CID 79503602) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide is COCC(=O)Nc1[nH]ncc1C(N)=S.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide?
The InChIKey is JUCLRJKPORTSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c1-13-3-5(12)10-7-4(6(8)14)2-9-11-7/h2H,3H2,1H3,(H2,8,14)(H2,9,10,11,12).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide has a molecular weight of 214.25 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-methoxyacetamide is sourced from PubChem (CID 79503602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).