4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine

C14H28N4S — CID 55046220

IUPAC4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC(C)C)CC(C)C
InChIInChI=1S/C14H28N4S/c1-6-7-15-14-13(16-17-19-14)10-18(8-11(2)3)9-12(4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyIVTKXNZLQOTDAD-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.47
Rot. Bonds9

About 4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 55046220) has the molecular formula C14H28N4S and a molecular weight of 284.47 g/mol. Its IUPAC name is 4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID55046220
Molecular FormulaC14H28N4S
Molecular Weight284.47 g/mol
Exact Mass284.20
IUPAC Name4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(CC(C)C)CC(C)C
InChIInChI=1S/C14H28N4S/c1-6-7-15-14-13(16-17-19-14)10-18(8-11(2)3)9-12(4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyIVTKXNZLQOTDAD-UHFFFAOYSA-N
XLogP3.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[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
N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183486
N-ethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183660

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine (CID 55046220) is 4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(CC(C)C)CC(C)C.
What is the InChIKey of 4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is IVTKXNZLQOTDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4S/c1-6-7-15-14-13(16-17-19-14)10-18(8-11(2)3)9-12(4)5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 284.47 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methylpropyl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55046220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).