N,4-dimethylthiadiazol-5-amine;formic acid

C5H9N3O2S — CID 144532878

IUPACN,4-dimethylthiadiazol-5-amine;formic acid
SMILESCNc1snnc1C.O=CO
InChIInChI=1S/C4H7N3S.CH2O2/c1-3-4(5-2)8-7-6-3;2-1-3/h5H,1-2H3;1H,(H,2,3)
InChIKeyRRJHAGMGGILYFA-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.59
Rot. Bonds1

About N,4-dimethylthiadiazol-5-amine;formic acid

N,4-dimethylthiadiazol-5-amine;formic acid (PubChem CID 144532878) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is N,4-dimethylthiadiazol-5-amine;formic acid.

Molecular Properties

Compound NameN,4-dimethylthiadiazol-5-amine;formic acid
PubChem CID144532878
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC NameN,4-dimethylthiadiazol-5-amine;formic acid
SMILESCNc1snnc1C.O=CO
InChIInChI=1S/C4H7N3S.CH2O2/c1-3-4(5-2)8-7-6-3;2-1-3/h5H,1-2H3;1H,(H,2,3)
InChIKeyRRJHAGMGGILYFA-UHFFFAOYSA-N
XLogP0.59
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethylthiadiazol-5-amine;formic acid?
The IUPAC name of N,4-dimethylthiadiazol-5-amine;formic acid (CID 144532878) is N,4-dimethylthiadiazol-5-amine;formic acid.
What is the SMILES notation for N,4-dimethylthiadiazol-5-amine;formic acid?
The canonical SMILES for N,4-dimethylthiadiazol-5-amine;formic acid is CNc1snnc1C.O=CO.
What is the InChIKey of N,4-dimethylthiadiazol-5-amine;formic acid?
The InChIKey is RRJHAGMGGILYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S.CH2O2/c1-3-4(5-2)8-7-6-3;2-1-3/h5H,1-2H3;1H,(H,2,3).
What are the key properties of N,4-dimethylthiadiazol-5-amine;formic acid?
N,4-dimethylthiadiazol-5-amine;formic acid has a molecular weight of 175.21 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylthiadiazol-5-amine;formic acid is sourced from PubChem (CID 144532878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).