4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine

C12H24N4S — CID 55046497

IUPAC4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine
SMILESCCCCN(CCCC)Cc1nnsc1NC
InChIInChI=1S/C12H24N4S/c1-4-6-8-16(9-7-5-2)10-11-12(13-3)17-15-14-11/h13H,4-10H2,1-3H3
InChIKeyTUDGELKWPYYFGB-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.98
Rot. Bonds9

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

4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine (PubChem CID 55046497) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine
PubChem CID55046497
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine
SMILESCCCCN(CCCC)Cc1nnsc1NC
InChIInChI=1S/C12H24N4S/c1-4-6-8-16(9-7-5-2)10-11-12(13-3)17-15-14-11/h13H,4-10H2,1-3H3
InChIKeyTUDGELKWPYYFGB-UHFFFAOYSA-N
XLogP2.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine (CID 55046497) is 4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine is CCCCN(CCCC)Cc1nnsc1NC.
What is the InChIKey of 4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine?
The InChIKey is TUDGELKWPYYFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-4-6-8-16(9-7-5-2)10-11-12(13-3)17-15-14-11/h13H,4-10H2,1-3H3.
What are the key properties of 4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine?
4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine has a molecular weight of 256.42 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dibutylamino)methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 55046497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).