5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride

C3H8Cl2N4S — CID 46786001

IUPAC5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCl.Cl.NCc1nnc(N)s1
InChIInChI=1S/C3H6N4S.2ClH/c4-1-2-6-7-3(5)8-2;;/h1,4H2,(H2,5,7);2*1H
InChIKeyXWYKQNIALXJTQU-UHFFFAOYSA-N
MW203.10 g/mol
LogP0.42
Rot. Bonds1

About 5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride

5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride (PubChem CID 46786001) has the molecular formula C3H8Cl2N4S and a molecular weight of 203.10 g/mol. Its IUPAC name is 5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
PubChem CID46786001
Molecular FormulaC3H8Cl2N4S
Molecular Weight203.10 g/mol
Exact Mass201.98
IUPAC Name5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride
SMILESCl.Cl.NCc1nnc(N)s1
InChIInChI=1S/C3H6N4S.2ClH/c4-1-2-6-7-3(5)8-2;;/h1,4H2,(H2,5,7);2*1H
InChIKeyXWYKQNIALXJTQU-UHFFFAOYSA-N
XLogP0.42
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.10
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The IUPAC name of 5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride (CID 46786001) is 5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride.
What is the SMILES notation for 5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The canonical SMILES for 5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride is Cl.Cl.NCc1nnc(N)s1.
What is the InChIKey of 5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
The InChIKey is XWYKQNIALXJTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4S.2ClH/c4-1-2-6-7-3(5)8-2;;/h1,4H2,(H2,5,7);2*1H.
What are the key properties of 5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride?
5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride has a molecular weight of 203.10 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,3,4-thiadiazol-2-amine;dihydrochloride is sourced from PubChem (CID 46786001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).