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

C11H20N4S — CID 107401410

IUPAC4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCCN(Cc1nnsc1NC)CC1CCC1
InChIInChI=1S/C11H20N4S/c1-3-15(7-9-5-4-6-9)8-10-11(12-2)16-14-13-10/h9,12H,3-8H2,1-2H3
InChIKeyWZWQWCJAMLHSDY-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.20
Rot. Bonds6

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

4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 107401410) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine
PubChem CID107401410
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCCN(Cc1nnsc1NC)CC1CCC1
InChIInChI=1S/C11H20N4S/c1-3-15(7-9-5-4-6-9)8-10-11(12-2)16-14-13-10/h9,12H,3-8H2,1-2H3
InChIKeyWZWQWCJAMLHSDY-UHFFFAOYSA-N
XLogP2.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine (CID 107401410) is 4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine is CCN(Cc1nnsc1NC)CC1CCC1.
What is the InChIKey of 4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is WZWQWCJAMLHSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-15(7-9-5-4-6-9)8-10-11(12-2)16-14-13-10/h9,12H,3-8H2,1-2H3.
What are the key properties of 4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine?
4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 107401410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).