N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide

C8H7N5O2S — CID 79503318

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1ccon1
InChIInChI=1S/C8H7N5O2S/c9-6(16)4-3-10-12-7(4)11-8(14)5-1-2-15-13-5/h1-3H,(H2,9,16)(H2,10,11,12,14)
InChIKeyVHPJWPIZPHZTTP-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.28
Rot. Bonds3

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 79503318) has the molecular formula C8H7N5O2S and a molecular weight of 237.24 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID79503318
Molecular FormulaC8H7N5O2S
Molecular Weight237.24 g/mol
Exact Mass237.03
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1ccon1
InChIInChI=1S/C8H7N5O2S/c9-6(16)4-3-10-12-7(4)11-8(14)5-1-2-15-13-5/h1-3H,(H2,9,16)(H2,10,11,12,14)
InChIKeyVHPJWPIZPHZTTP-UHFFFAOYSA-N
XLogP0.28
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.28
H-Bond Donors ≤ 53
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 N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide (CID 79503318) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide is NC(=S)c1cn[nH]c1NC(=O)c1ccon1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is VHPJWPIZPHZTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2S/c9-6(16)4-3-10-12-7(4)11-8(14)5-1-2-15-13-5/h1-3H,(H2,9,16)(H2,10,11,12,14).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 237.24 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 79503318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).