N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine

C4H7N3S — CID 79496495

IUPACN-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNCc1cnsn1
InChIInChI=1S/C4H7N3S/c1-5-2-4-3-6-8-7-4/h3,5H,2H2,1H3
InChIKeyLUIVCDSATDVMRC-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.26
Rot. Bonds2

About N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine

N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine (PubChem CID 79496495) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
PubChem CID79496495
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC NameN-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNCc1cnsn1
InChIInChI=1S/C4H7N3S/c1-5-2-4-3-6-8-7-4/h3,5H,2H2,1H3
InChIKeyLUIVCDSATDVMRC-UHFFFAOYSA-N
XLogP0.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine (CID 79496495) is N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine is CNCc1cnsn1.
What is the InChIKey of N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
The InChIKey is LUIVCDSATDVMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-5-2-4-3-6-8-7-4/h3,5H,2H2,1H3.
What are the key properties of N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine?
N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine has a molecular weight of 129.19 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 79496495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).