N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide

C13H11N7O3S2 — CID 71788478

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2coc(NC(=O)c3cnccn3)n2)s1
InChIInChI=1S/C13H11N7O3S2/c1-2-24-13-20-19-12(25-13)18-10(22)8-6-23-11(16-8)17-9(21)7-5-14-3-4-15-7/h3-6H,2H2,1H3,(H,16,17,21)(H,18,19,22)
InChIKeyUJQJQCBFXIJXSM-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.93
Rot. Bonds6

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 71788478) has the molecular formula C13H11N7O3S2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID71788478
Molecular FormulaC13H11N7O3S2
Molecular Weight377.41 g/mol
Exact Mass377.04
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCCSc1nnc(NC(=O)c2coc(NC(=O)c3cnccn3)n2)s1
InChIInChI=1S/C13H11N7O3S2/c1-2-24-13-20-19-12(25-13)18-10(22)8-6-23-11(16-8)17-9(21)7-5-14-3-4-15-7/h3-6H,2H2,1H3,(H,16,17,21)(H,18,19,22)
InChIKeyUJQJQCBFXIJXSM-UHFFFAOYSA-N
XLogP1.93
TPSA135.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 71788478) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide is CCSc1nnc(NC(=O)c2coc(NC(=O)c3cnccn3)n2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is UJQJQCBFXIJXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O3S2/c1-2-24-13-20-19-12(25-13)18-10(22)8-6-23-11(16-8)17-9(21)7-5-14-3-4-15-7/h3-6H,2H2,1H3,(H,16,17,21)(H,18,19,22).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71788478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).