5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide

C5H7N5O2S — CID 80615780

IUPAC5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNC(=O)CNC(=O)c1nnc(N)s1
InChIInChI=1S/C5H7N5O2S/c6-2(11)1-8-3(12)4-9-10-5(7)13-4/h1H2,(H2,6,11)(H2,7,10)(H,8,12)
InChIKeyWUQPVIBIZNSAHM-UHFFFAOYSA-N
MW201.21 g/mol
LogP-1.66
Rot. Bonds3

About 5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615780) has the molecular formula C5H7N5O2S and a molecular weight of 201.21 g/mol. Its IUPAC name is 5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615780
Molecular FormulaC5H7N5O2S
Molecular Weight201.21 g/mol
Exact Mass201.03
IUPAC Name5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNC(=O)CNC(=O)c1nnc(N)s1
InChIInChI=1S/C5H7N5O2S/c6-2(11)1-8-3(12)4-9-10-5(7)13-4/h1H2,(H2,6,11)(H2,7,10)(H,8,12)
InChIKeyWUQPVIBIZNSAHM-UHFFFAOYSA-N
XLogP-1.66
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80615780) is 5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide is NC(=O)CNC(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is WUQPVIBIZNSAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2S/c6-2(11)1-8-3(12)4-9-10-5(7)13-4/h1H2,(H2,6,11)(H2,7,10)(H,8,12).
What are the key properties of 5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 201.21 g/mol, XLogP of -1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-amino-2-oxoethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).