(4-methylthiadiazol-5-yl)methanamine;hydrochloride

C4H8ClN3S — CID 18327524

IUPAC(4-methylthiadiazol-5-yl)methanamine;hydrochloride
SMILESCc1nnsc1CN.Cl
InChIInChI=1S/C4H7N3S.ClH/c1-3-4(2-5)8-7-6-3;/h2,5H2,1H3;1H
InChIKeyJLMFQDADTCRURW-UHFFFAOYSA-N
MW165.65 g/mol
LogP0.73
Rot. Bonds1

About (4-methylthiadiazol-5-yl)methanamine;hydrochloride

(4-methylthiadiazol-5-yl)methanamine;hydrochloride (PubChem CID 18327524) has the molecular formula C4H8ClN3S and a molecular weight of 165.65 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)methanamine;hydrochloride
PubChem CID18327524
Molecular FormulaC4H8ClN3S
Molecular Weight165.65 g/mol
Exact Mass165.01
IUPAC Name(4-methylthiadiazol-5-yl)methanamine;hydrochloride
SMILESCc1nnsc1CN.Cl
InChIInChI=1S/C4H7N3S.ClH/c1-3-4(2-5)8-7-6-3;/h2,5H2,1H3;1H
InChIKeyJLMFQDADTCRURW-UHFFFAOYSA-N
XLogP0.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.65
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (4-methylthiadiazol-5-yl)methanamine;hydrochloride (CID 18327524) is (4-methylthiadiazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-methylthiadiazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (4-methylthiadiazol-5-yl)methanamine;hydrochloride is Cc1nnsc1CN.Cl.
What is the InChIKey of (4-methylthiadiazol-5-yl)methanamine;hydrochloride?
The InChIKey is JLMFQDADTCRURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S.ClH/c1-3-4(2-5)8-7-6-3;/h2,5H2,1H3;1H.
What are the key properties of (4-methylthiadiazol-5-yl)methanamine;hydrochloride?
(4-methylthiadiazol-5-yl)methanamine;hydrochloride has a molecular weight of 165.65 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 18327524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).