3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine

C6H12N4OS — CID 142434753

IUPAC3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCOCCN(C)c1nsc(N)n1
InChIInChI=1S/C6H12N4OS/c1-10(3-4-11-2)6-8-5(7)12-9-6/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyDLFUWEDJFFULLT-UHFFFAOYSA-N
MW188.26 g/mol
LogP0.20
Rot. Bonds4

About 3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine

3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 142434753) has the molecular formula C6H12N4OS and a molecular weight of 188.26 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID142434753
Molecular FormulaC6H12N4OS
Molecular Weight188.26 g/mol
Exact Mass188.07
IUPAC Name3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCOCCN(C)c1nsc(N)n1
InChIInChI=1S/C6H12N4OS/c1-10(3-4-11-2)6-8-5(7)12-9-6/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyDLFUWEDJFFULLT-UHFFFAOYSA-N
XLogP0.20
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine (CID 142434753) is 3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine is COCCN(C)c1nsc(N)n1.
What is the InChIKey of 3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is DLFUWEDJFFULLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4OS/c1-10(3-4-11-2)6-8-5(7)12-9-6/h3-4H2,1-2H3,(H2,7,8,9).
What are the key properties of 3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine?
3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 188.26 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-3-N-methyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 142434753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).