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

C9H18N4O2S — CID 79021831

IUPAC5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCOCCN(CCOC)Cc1nnc(N)s1
InChIInChI=1S/C9H18N4O2S/c1-14-5-3-13(4-6-15-2)7-8-11-12-9(10)16-8/h3-7H2,1-2H3,(H2,10,12)
InChIKeyKLHPMIRCARABCC-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.22
Rot. Bonds8

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

5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 79021831) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID79021831
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCOCCN(CCOC)Cc1nnc(N)s1
InChIInChI=1S/C9H18N4O2S/c1-14-5-3-13(4-6-15-2)7-8-11-12-9(10)16-8/h3-7H2,1-2H3,(H2,10,12)
InChIKeyKLHPMIRCARABCC-UHFFFAOYSA-N
XLogP0.22
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 79021831) is 5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is COCCN(CCOC)Cc1nnc(N)s1.
What is the InChIKey of 5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KLHPMIRCARABCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-14-5-3-13(4-6-15-2)7-8-11-12-9(10)16-8/h3-7H2,1-2H3,(H2,10,12).
What are the key properties of 5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 246.34 g/mol, XLogP of 0.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-methoxyethyl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79021831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).