acetic acid;1,2,4-thiadiazol-5-amine

C4H7N3O2S — CID 19076665

IUPACacetic acid;1,2,4-thiadiazol-5-amine
SMILESCC(=O)O.Nc1ncns1
InChIInChI=1S/C2H3N3S.C2H4O2/c3-2-4-1-5-6-2;1-2(3)4/h1H,(H2,3,4,5);1H3,(H,3,4)
InChIKeyZLCUZYMJBQJIMP-UHFFFAOYSA-N
MW161.19 g/mol
LogP0.21
Rot. Bonds

About acetic acid;1,2,4-thiadiazol-5-amine

acetic acid;1,2,4-thiadiazol-5-amine (PubChem CID 19076665) has the molecular formula C4H7N3O2S and a molecular weight of 161.19 g/mol. Its IUPAC name is acetic acid;1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Nameacetic acid;1,2,4-thiadiazol-5-amine
PubChem CID19076665
Molecular FormulaC4H7N3O2S
Molecular Weight161.19 g/mol
Exact Mass161.03
IUPAC Nameacetic acid;1,2,4-thiadiazol-5-amine
SMILESCC(=O)O.Nc1ncns1
InChIInChI=1S/C2H3N3S.C2H4O2/c3-2-4-1-5-6-2;1-2(3)4/h1H,(H2,3,4,5);1H3,(H,3,4)
InChIKeyZLCUZYMJBQJIMP-UHFFFAOYSA-N
XLogP0.21
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Thiadiazol-3-yl acetate
CID 57227910
Acetic acid;methanimidamide;1,2,4-thiadiazol-5-amine
CID 158406331
2-(1,2,4-Thiadiazol-5-ylamino)oxyacetic acid
CID 116285422

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,2,4-thiadiazol-5-amine?
The IUPAC name of acetic acid;1,2,4-thiadiazol-5-amine (CID 19076665) is acetic acid;1,2,4-thiadiazol-5-amine.
What is the SMILES notation for acetic acid;1,2,4-thiadiazol-5-amine?
The canonical SMILES for acetic acid;1,2,4-thiadiazol-5-amine is CC(=O)O.Nc1ncns1.
What is the InChIKey of acetic acid;1,2,4-thiadiazol-5-amine?
The InChIKey is ZLCUZYMJBQJIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3S.C2H4O2/c3-2-4-1-5-6-2;1-2(3)4/h1H,(H2,3,4,5);1H3,(H,3,4).
What are the key properties of acetic acid;1,2,4-thiadiazol-5-amine?
acetic acid;1,2,4-thiadiazol-5-amine has a molecular weight of 161.19 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 19076665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).