5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine

C11H22N4OS — CID 80606311

IUPAC5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)N(CCOC)Cc1nnc(N)s1
InChIInChI=1S/C11H22N4OS/c1-4-9(5-2)15(6-7-16-3)8-10-13-14-11(12)17-10/h9H,4-8H2,1-3H3,(H2,12,14)
InChIKeyFJXLKSARXOBJTG-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.76
Rot. Bonds8

About 5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine

5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606311) has the molecular formula C11H22N4OS and a molecular weight of 258.39 g/mol. Its IUPAC name is 5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606311
Molecular FormulaC11H22N4OS
Molecular Weight258.39 g/mol
Exact Mass258.15
IUPAC Name5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCCC(CC)N(CCOC)Cc1nnc(N)s1
InChIInChI=1S/C11H22N4OS/c1-4-9(5-2)15(6-7-16-3)8-10-13-14-11(12)17-10/h9H,4-8H2,1-3H3,(H2,12,14)
InChIKeyFJXLKSARXOBJTG-UHFFFAOYSA-N
XLogP1.76
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 80606311) is 5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine is CCC(CC)N(CCOC)Cc1nnc(N)s1.
What is the InChIKey of 5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is FJXLKSARXOBJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OS/c1-4-9(5-2)15(6-7-16-3)8-10-13-14-11(12)17-10/h9H,4-8H2,1-3H3,(H2,12,14).
What are the key properties of 5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 258.39 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).