4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine

C12H24N4S — CID 55046189

IUPAC4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCCCCN(Cc1nnsc1NC)C(C)CC
InChIInChI=1S/C12H24N4S/c1-5-7-8-16(10(3)6-2)9-11-12(13-4)17-15-14-11/h10,13H,5-9H2,1-4H3
InChIKeyQSAAMFRVGWGFGW-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.98
Rot. Bonds8

About 4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine

4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 55046189) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine
PubChem CID55046189
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine
SMILESCCCCN(Cc1nnsc1NC)C(C)CC
InChIInChI=1S/C12H24N4S/c1-5-7-8-16(10(3)6-2)9-11-12(13-4)17-15-14-11/h10,13H,5-9H2,1-4H3
InChIKeyQSAAMFRVGWGFGW-UHFFFAOYSA-N
XLogP2.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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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Related Compounds

5-Cyclohexylamino-4-thiocarbamoyl-1,2,3-thiadiazole
CID 14146092
4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046267
N-ethyl-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046269
N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046411
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182105
N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182106
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182803
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62182806
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylthiadiazol-5-amine
CID 62182981
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62182982
N-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183147
N-ethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183327

Frequently Asked Questions

What is the IUPAC name of 4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine (CID 55046189) is 4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine is CCCCN(Cc1nnsc1NC)C(C)CC.
What is the InChIKey of 4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is QSAAMFRVGWGFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-5-7-8-16(10(3)6-2)9-11-12(13-4)17-15-14-11/h10,13H,5-9H2,1-4H3.
What are the key properties of 4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine?
4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 256.42 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butan-2-yl(butyl)amino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 55046189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).