1,2,4-thiadiazol-3-ylmethanamine;hydrochloride

C3H6ClN3S — CID 67016803

IUPAC1,2,4-thiadiazol-3-ylmethanamine;hydrochloride
SMILESCl.NCc1ncsn1
InChIInChI=1S/C3H5N3S.ClH/c4-1-3-5-2-7-6-3;/h2H,1,4H2;1H
InChIKeyXUTHTYLELWNVPX-UHFFFAOYSA-N
MW151.62 g/mol
LogP0.42
Rot. Bonds1

About 1,2,4-thiadiazol-3-ylmethanamine;hydrochloride

1,2,4-thiadiazol-3-ylmethanamine;hydrochloride (PubChem CID 67016803) has the molecular formula C3H6ClN3S and a molecular weight of 151.62 g/mol. Its IUPAC name is 1,2,4-thiadiazol-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1,2,4-thiadiazol-3-ylmethanamine;hydrochloride
PubChem CID67016803
Molecular FormulaC3H6ClN3S
Molecular Weight151.62 g/mol
Exact Mass151.00
IUPAC Name1,2,4-thiadiazol-3-ylmethanamine;hydrochloride
SMILESCl.NCc1ncsn1
InChIInChI=1S/C3H5N3S.ClH/c4-1-3-5-2-7-6-3;/h2H,1,4H2;1H
InChIKeyXUTHTYLELWNVPX-UHFFFAOYSA-N
XLogP0.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.62
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-thiadiazol-3-ylmethanamine;hydrochloride?
The IUPAC name of 1,2,4-thiadiazol-3-ylmethanamine;hydrochloride (CID 67016803) is 1,2,4-thiadiazol-3-ylmethanamine;hydrochloride.
What is the SMILES notation for 1,2,4-thiadiazol-3-ylmethanamine;hydrochloride?
The canonical SMILES for 1,2,4-thiadiazol-3-ylmethanamine;hydrochloride is Cl.NCc1ncsn1.
What is the InChIKey of 1,2,4-thiadiazol-3-ylmethanamine;hydrochloride?
The InChIKey is XUTHTYLELWNVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3S.ClH/c4-1-3-5-2-7-6-3;/h2H,1,4H2;1H.
What are the key properties of 1,2,4-thiadiazol-3-ylmethanamine;hydrochloride?
1,2,4-thiadiazol-3-ylmethanamine;hydrochloride has a molecular weight of 151.62 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-thiadiazol-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 67016803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).