4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine

C7H14N4S — CID 62184482

IUPAC4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCCN(C)Cc1nnsc1NC
InChIInChI=1S/C7H14N4S/c1-4-11(3)5-6-7(8-2)12-10-9-6/h8H,4-5H2,1-3H3
InChIKeyWFJKBYYOFSBHJN-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.03
Rot. Bonds4

About 4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine

4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 62184482) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
PubChem CID62184482
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCCN(C)Cc1nnsc1NC
InChIInChI=1S/C7H14N4S/c1-4-11(3)5-6-7(8-2)12-10-9-6/h8H,4-5H2,1-3H3
InChIKeyWFJKBYYOFSBHJN-UHFFFAOYSA-N
XLogP1.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine (CID 62184482) is 4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine is CCN(C)Cc1nnsc1NC.
What is the InChIKey of 4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is WFJKBYYOFSBHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-4-11(3)5-6-7(8-2)12-10-9-6/h8H,4-5H2,1-3H3.
What are the key properties of 4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine?
4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 186.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62184482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).