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

C3H6N4S — CID 45032343

IUPAC5-(aminomethyl)-1,3,4-thiadiazol-2-amine
SMILESNCc1nnc(N)s1
InChIInChI=1S/C3H6N4S/c4-1-2-6-7-3(5)8-2/h1,4H2,(H2,5,7)
InChIKeyLUHHQBMRYRVCNL-UHFFFAOYSA-N
MW130.18 g/mol
LogP-0.42
Rot. Bonds1

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

5-(aminomethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 45032343) has the molecular formula C3H6N4S and a molecular weight of 130.18 g/mol. Its IUPAC name is 5-(aminomethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-1,3,4-thiadiazol-2-amine
PubChem CID45032343
Molecular FormulaC3H6N4S
Molecular Weight130.18 g/mol
Exact Mass130.03
IUPAC Name5-(aminomethyl)-1,3,4-thiadiazol-2-amine
SMILESNCc1nnc(N)s1
InChIInChI=1S/C3H6N4S/c4-1-2-6-7-3(5)8-2/h1,4H2,(H2,5,7)
InChIKeyLUHHQBMRYRVCNL-UHFFFAOYSA-N
XLogP-0.42
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-1,3,4-thiadiazol-2-amine (CID 45032343) is 5-(aminomethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-1,3,4-thiadiazol-2-amine is NCc1nnc(N)s1.
What is the InChIKey of 5-(aminomethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LUHHQBMRYRVCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4S/c4-1-2-6-7-3(5)8-2/h1,4H2,(H2,5,7).
What are the key properties of 5-(aminomethyl)-1,3,4-thiadiazol-2-amine?
5-(aminomethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 130.18 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 is sourced from PubChem (CID 45032343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).