1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide

C10H14N4OS2 — CID 936618

IUPAC1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC(=S)N2CCSCC2)n1
InChIInChI=1S/C10H14N4OS2/c1-13-3-2-8(12-13)9(15)11-10(16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3,(H,11,15,16)
InChIKeyGLCAYVNCQJEFFA-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.48
Rot. Bonds1

About 1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide

1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide (PubChem CID 936618) has the molecular formula C10H14N4OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide
PubChem CID936618
Molecular FormulaC10H14N4OS2
Molecular Weight270.38 g/mol
Exact Mass270.06
IUPAC Name1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC(=S)N2CCSCC2)n1
InChIInChI=1S/C10H14N4OS2/c1-13-3-2-8(12-13)9(15)11-10(16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3,(H,11,15,16)
InChIKeyGLCAYVNCQJEFFA-UHFFFAOYSA-N
XLogP0.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide (CID 936618) is 1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide is Cn1ccc(C(=O)NC(=S)N2CCSCC2)n1.
What is the InChIKey of 1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide?
The InChIKey is GLCAYVNCQJEFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS2/c1-13-3-2-8(12-13)9(15)11-10(16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3,(H,11,15,16).
What are the key properties of 1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide?
1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(thiomorpholine-4-carbothioyl)pyrazole-3-carboxamide is sourced from PubChem (CID 936618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).