N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine

C13H26N4S — CID 79491970

IUPACN-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine
SMILESCCC(CC)N(Cc1nnsc1NC)CC(C)C
InChIInChI=1S/C13H26N4S/c1-6-11(7-2)17(8-10(3)4)9-12-13(14-5)18-16-15-12/h10-11,14H,6-9H2,1-5H3
InChIKeyFJYSMQNTZRKNIT-UHFFFAOYSA-N
MW270.45 g/mol
LogP3.23
Rot. Bonds8

About N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine

N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine (PubChem CID 79491970) has the molecular formula C13H26N4S and a molecular weight of 270.45 g/mol. Its IUPAC name is N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine
PubChem CID79491970
Molecular FormulaC13H26N4S
Molecular Weight270.45 g/mol
Exact Mass270.19
IUPAC NameN-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine
SMILESCCC(CC)N(Cc1nnsc1NC)CC(C)C
InChIInChI=1S/C13H26N4S/c1-6-11(7-2)17(8-10(3)4)9-12-13(14-5)18-16-15-12/h10-11,14H,6-9H2,1-5H3
InChIKeyFJYSMQNTZRKNIT-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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 N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine (CID 79491970) is N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine is CCC(CC)N(Cc1nnsc1NC)CC(C)C.
What is the InChIKey of N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine?
The InChIKey is FJYSMQNTZRKNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S/c1-6-11(7-2)17(8-10(3)4)9-12-13(14-5)18-16-15-12/h10-11,14H,6-9H2,1-5H3.
What are the key properties of N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine?
N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine has a molecular weight of 270.45 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 79491970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).