4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine

C13H26N4S — CID 62181934

IUPAC4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)C(C)C(C)(C)C
InChIInChI=1S/C13H26N4S/c1-7-8-14-12-11(15-16-18-12)9-17(6)10(2)13(3,4)5/h10,14H,7-9H2,1-6H3
InChIKeyXXXWBKURXPEBEU-UHFFFAOYSA-N
MW270.45 g/mol
LogP3.23
Rot. Bonds6

About 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine

4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 62181934) has the molecular formula C13H26N4S and a molecular weight of 270.45 g/mol. Its IUPAC name is 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine
PubChem CID62181934
Molecular FormulaC13H26N4S
Molecular Weight270.45 g/mol
Exact Mass270.19
IUPAC Name4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)C(C)C(C)(C)C
InChIInChI=1S/C13H26N4S/c1-7-8-14-12-11(15-16-18-12)9-17(6)10(2)13(3,4)5/h10,14H,7-9H2,1-6H3
InChIKeyXXXWBKURXPEBEU-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine (CID 62181934) is 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)C(C)C(C)(C)C.
What is the InChIKey of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is XXXWBKURXPEBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S/c1-7-8-14-12-11(15-16-18-12)9-17(6)10(2)13(3,4)5/h10,14H,7-9H2,1-6H3.
What are the key properties of 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine?
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 270.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62181934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).