1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide

C5H5N5O2S — CID 159774252

IUPAC1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide
SMILESNC(=O)c1nncs1.c1nnco1
InChIInChI=1S/C3H3N3OS.C2H2N2O/c4-2(7)3-6-5-1-8-3;1-3-4-2-5-1/h1H,(H2,4,7);1-2H
InChIKeyNGNHSWQVPZUSJY-UHFFFAOYSA-N
MW199.20 g/mol
LogP-0.29
Rot. Bonds1

About 1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide

1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide (PubChem CID 159774252) has the molecular formula C5H5N5O2S and a molecular weight of 199.20 g/mol. Its IUPAC name is 1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide
PubChem CID159774252
Molecular FormulaC5H5N5O2S
Molecular Weight199.20 g/mol
Exact Mass199.02
IUPAC Name1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide
SMILESNC(=O)c1nncs1.c1nnco1
InChIInChI=1S/C3H3N3OS.C2H2N2O/c4-2(7)3-6-5-1-8-3;1-3-4-2-5-1/h1H,(H2,4,7);1-2H
InChIKeyNGNHSWQVPZUSJY-UHFFFAOYSA-N
XLogP-0.29
TPSA107.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide (CID 159774252) is 1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide is NC(=O)c1nncs1.c1nnco1.
What is the InChIKey of 1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NGNHSWQVPZUSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3OS.C2H2N2O/c4-2(7)3-6-5-1-8-3;1-3-4-2-5-1/h1H,(H2,4,7);1-2H.
What are the key properties of 1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide?
1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide has a molecular weight of 199.20 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-oxadiazole;1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 159774252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).