4-(methylaminomethyl)thiadiazol-5-amine

C4H8N4S — CID 117214290

IUPAC4-(methylaminomethyl)thiadiazol-5-amine
SMILESCNCc1nnsc1N
InChIInChI=1S/C4H8N4S/c1-6-2-3-4(5)9-8-7-3/h6H,2,5H2,1H3
InChIKeyNAAQUZGHGFAMLH-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.16
Rot. Bonds2

About 4-(methylaminomethyl)thiadiazol-5-amine

4-(methylaminomethyl)thiadiazol-5-amine (PubChem CID 117214290) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is 4-(methylaminomethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(methylaminomethyl)thiadiazol-5-amine
PubChem CID117214290
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name4-(methylaminomethyl)thiadiazol-5-amine
SMILESCNCc1nnsc1N
InChIInChI=1S/C4H8N4S/c1-6-2-3-4(5)9-8-7-3/h6H,2,5H2,1H3
InChIKeyNAAQUZGHGFAMLH-UHFFFAOYSA-N
XLogP-0.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)thiadiazol-5-amine?
The IUPAC name of 4-(methylaminomethyl)thiadiazol-5-amine (CID 117214290) is 4-(methylaminomethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(methylaminomethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(methylaminomethyl)thiadiazol-5-amine is CNCc1nnsc1N.
What is the InChIKey of 4-(methylaminomethyl)thiadiazol-5-amine?
The InChIKey is NAAQUZGHGFAMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c1-6-2-3-4(5)9-8-7-3/h6H,2,5H2,1H3.
What are the key properties of 4-(methylaminomethyl)thiadiazol-5-amine?
4-(methylaminomethyl)thiadiazol-5-amine has a molecular weight of 144.20 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)thiadiazol-5-amine is sourced from PubChem (CID 117214290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).