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

C12H9N7O3S — CID 71788477

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCc1nnc(NC(=O)c2coc(NC(=O)c3cnccn3)n2)s1
InChIInChI=1S/C12H9N7O3S/c1-6-18-19-12(23-6)17-10(21)8-5-22-11(15-8)16-9(20)7-4-13-2-3-14-7/h2-5H,1H3,(H,15,16,20)(H,17,19,21)
InChIKeyKWIXSWQKVOUGQY-UHFFFAOYSA-N
MW331.32 g/mol
LogP1.13
Rot. Bonds4

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 71788477) has the molecular formula C12H9N7O3S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID71788477
Molecular FormulaC12H9N7O3S
Molecular Weight331.32 g/mol
Exact Mass331.05
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCc1nnc(NC(=O)c2coc(NC(=O)c3cnccn3)n2)s1
InChIInChI=1S/C12H9N7O3S/c1-6-18-19-12(23-6)17-10(21)8-5-22-11(15-8)16-9(20)7-4-13-2-3-14-7/h2-5H,1H3,(H,15,16,20)(H,17,19,21)
InChIKeyKWIXSWQKVOUGQY-UHFFFAOYSA-N
XLogP1.13
TPSA135.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 71788477) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide is Cc1nnc(NC(=O)c2coc(NC(=O)c3cnccn3)n2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is KWIXSWQKVOUGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N7O3S/c1-6-18-19-12(23-6)17-10(21)8-5-22-11(15-8)16-9(20)7-4-13-2-3-14-7/h2-5H,1H3,(H,15,16,20)(H,17,19,21).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyrazine-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71788477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).