4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine

C12H24N4S — CID 55046074

IUPAC4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)C(C)CCC
InChIInChI=1S/C12H24N4S/c1-5-7-10(3)16(4)9-11-12(13-8-6-2)17-15-14-11/h10,13H,5-9H2,1-4H3
InChIKeyGCCOKAIMBPIPSG-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.98
Rot. Bonds8

About 4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 55046074) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID55046074
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)C(C)CCC
InChIInChI=1S/C12H24N4S/c1-5-7-10(3)16(4)9-11-12(13-8-6-2)17-15-14-11/h10,13H,5-9H2,1-4H3
InChIKeyGCCOKAIMBPIPSG-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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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine (CID 55046074) is 4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)C(C)CCC.
What is the InChIKey of 4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is GCCOKAIMBPIPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-5-7-10(3)16(4)9-11-12(13-8-6-2)17-15-14-11/h10,13H,5-9H2,1-4H3.
What are the key properties of 4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-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-[[methyl(pentan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 55046074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).