N-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride

C5H10ClN3S — CID 75485268

IUPACN-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride
SMILESCNCc1snnc1C.Cl
InChIInChI=1S/C5H9N3S.ClH/c1-4-5(3-6-2)9-8-7-4;/h6H,3H2,1-2H3;1H
InChIKeyMUKMYPPGNKFWRN-UHFFFAOYSA-N
MW179.68 g/mol
LogP0.99
Rot. Bonds2

About N-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride

N-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride (PubChem CID 75485268) has the molecular formula C5H10ClN3S and a molecular weight of 179.68 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride
PubChem CID75485268
Molecular FormulaC5H10ClN3S
Molecular Weight179.68 g/mol
Exact Mass179.03
IUPAC NameN-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride
SMILESCNCc1snnc1C.Cl
InChIInChI=1S/C5H9N3S.ClH/c1-4-5(3-6-2)9-8-7-4;/h6H,3H2,1-2H3;1H
InChIKeyMUKMYPPGNKFWRN-UHFFFAOYSA-N
XLogP0.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.68
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride (CID 75485268) is N-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride is CNCc1snnc1C.Cl.
What is the InChIKey of N-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride?
The InChIKey is MUKMYPPGNKFWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S.ClH/c1-4-5(3-6-2)9-8-7-4;/h6H,3H2,1-2H3;1H.
What are the key properties of N-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride?
N-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride has a molecular weight of 179.68 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthiadiazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 75485268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).