N-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

C6H5N5O2S — CID 79516235

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESNc1nnc(NC(=O)c2ccon2)s1
InChIInChI=1S/C6H5N5O2S/c7-5-9-10-6(14-5)8-4(12)3-1-2-13-11-3/h1-2H,(H2,7,9)(H,8,10,12)
InChIKeyUJROLEWRSXLSPP-UHFFFAOYSA-N
MW211.21 g/mol
LogP0.36
Rot. Bonds2

About N-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

N-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 79516235) has the molecular formula C6H5N5O2S and a molecular weight of 211.21 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID79516235
Molecular FormulaC6H5N5O2S
Molecular Weight211.21 g/mol
Exact Mass211.02
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
SMILESNc1nnc(NC(=O)c2ccon2)s1
InChIInChI=1S/C6H5N5O2S/c7-5-9-10-6(14-5)8-4(12)3-1-2-13-11-3/h1-2H,(H2,7,9)(H,8,10,12)
InChIKeyUJROLEWRSXLSPP-UHFFFAOYSA-N
XLogP0.36
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide (CID 79516235) is N-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is Nc1nnc(NC(=O)c2ccon2)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is UJROLEWRSXLSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2S/c7-5-9-10-6(14-5)8-4(12)3-1-2-13-11-3/h1-2H,(H2,7,9)(H,8,10,12).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 211.21 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 79516235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).