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

C12H24N4S — CID 62184460

IUPAC4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCCN(CC)Cc1nnsc1NCCC
InChIInChI=1S/C12H24N4S/c1-4-7-9-16(6-3)10-11-12(13-8-5-2)17-15-14-11/h13H,4-10H2,1-3H3
InChIKeyBVYIWTQCCJQLCF-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.98
Rot. Bonds9

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

4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 62184460) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID62184460
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCCN(CC)Cc1nnsc1NCCC
InChIInChI=1S/C12H24N4S/c1-4-7-9-16(6-3)10-11-12(13-8-5-2)17-15-14-11/h13H,4-10H2,1-3H3
InChIKeyBVYIWTQCCJQLCF-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-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine (CID 62184460) is 4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine is CCCCN(CC)Cc1nnsc1NCCC.
What is the InChIKey of 4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is BVYIWTQCCJQLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-4-7-9-16(6-3)10-11-12(13-8-5-2)17-15-14-11/h13H,4-10H2,1-3H3.
What are the key properties of 4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-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-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62184460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).