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

C5H9N3S — CID 25220776

IUPACN-methyl-1-(4-methylthiadiazol-5-yl)methanamine
SMILESCNCc1snnc1C
InChIInChI=1S/C5H9N3S/c1-4-5(3-6-2)9-8-7-4/h6H,3H2,1-2H3
InChIKeyQNLGXALTUJAMMA-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.57
Rot. Bonds2

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

N-methyl-1-(4-methylthiadiazol-5-yl)methanamine (PubChem CID 25220776) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiadiazol-5-yl)methanamine
PubChem CID25220776
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC NameN-methyl-1-(4-methylthiadiazol-5-yl)methanamine
SMILESCNCc1snnc1C
InChIInChI=1S/C5H9N3S/c1-4-5(3-6-2)9-8-7-4/h6H,3H2,1-2H3
InChIKeyQNLGXALTUJAMMA-UHFFFAOYSA-N
XLogP0.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.57
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?
The IUPAC name of N-methyl-1-(4-methylthiadiazol-5-yl)methanamine (CID 25220776) is N-methyl-1-(4-methylthiadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylthiadiazol-5-yl)methanamine is CNCc1snnc1C.
What is the InChIKey of N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The InChIKey is QNLGXALTUJAMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-4-5(3-6-2)9-8-7-4/h6H,3H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
N-methyl-1-(4-methylthiadiazol-5-yl)methanamine has a molecular weight of 143.21 g/mol, XLogP of 0.57, 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 is sourced from PubChem (CID 25220776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).