2-(thiadiazole-4-carbonylamino)acetic acid

C5H5N3O3S — CID 62032785

IUPAC2-(thiadiazole-4-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1csnn1
InChIInChI=1S/C5H5N3O3S/c9-4(10)1-6-5(11)3-2-12-8-7-3/h2H,1H2,(H,6,11)(H,9,10)
InChIKeyDXFXUYFLVHSCAC-UHFFFAOYSA-N
MW187.18 g/mol
LogP-0.65
Rot. Bonds3

About 2-(thiadiazole-4-carbonylamino)acetic acid

2-(thiadiazole-4-carbonylamino)acetic acid (PubChem CID 62032785) has the molecular formula C5H5N3O3S and a molecular weight of 187.18 g/mol. Its IUPAC name is 2-(thiadiazole-4-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(thiadiazole-4-carbonylamino)acetic acid
PubChem CID62032785
Molecular FormulaC5H5N3O3S
Molecular Weight187.18 g/mol
Exact Mass187.01
IUPAC Name2-(thiadiazole-4-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1csnn1
InChIInChI=1S/C5H5N3O3S/c9-4(10)1-6-5(11)3-2-12-8-7-3/h2H,1H2,(H,6,11)(H,9,10)
InChIKeyDXFXUYFLVHSCAC-UHFFFAOYSA-N
XLogP-0.65
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazole-4-carbonylamino)acetic acid?
The IUPAC name of 2-(thiadiazole-4-carbonylamino)acetic acid (CID 62032785) is 2-(thiadiazole-4-carbonylamino)acetic acid.
What is the SMILES notation for 2-(thiadiazole-4-carbonylamino)acetic acid?
The canonical SMILES for 2-(thiadiazole-4-carbonylamino)acetic acid is O=C(O)CNC(=O)c1csnn1.
What is the InChIKey of 2-(thiadiazole-4-carbonylamino)acetic acid?
The InChIKey is DXFXUYFLVHSCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3S/c9-4(10)1-6-5(11)3-2-12-8-7-3/h2H,1H2,(H,6,11)(H,9,10).
What are the key properties of 2-(thiadiazole-4-carbonylamino)acetic acid?
2-(thiadiazole-4-carbonylamino)acetic acid has a molecular weight of 187.18 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazole-4-carbonylamino)acetic acid is sourced from PubChem (CID 62032785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).