N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

C8H16N4OS — CID 65273687

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCOCCN(C)CCNc1ncns1
InChIInChI=1S/C8H16N4OS/c1-12(5-6-13-2)4-3-9-8-10-7-11-14-8/h7H,3-6H2,1-2H3,(H,9,10,11)
InChIKeyVGJPAKHAHLZJAM-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.53
Rot. Bonds7

About N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 65273687) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID65273687
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCOCCN(C)CCNc1ncns1
InChIInChI=1S/C8H16N4OS/c1-12(5-6-13-2)4-3-9-8-10-7-11-14-8/h7H,3-6H2,1-2H3,(H,9,10,11)
InChIKeyVGJPAKHAHLZJAM-UHFFFAOYSA-N
XLogP0.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 65273687) is N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is COCCN(C)CCNc1ncns1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is VGJPAKHAHLZJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-12(5-6-13-2)4-3-9-8-10-7-11-14-8/h7H,3-6H2,1-2H3,(H,9,10,11).
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 216.31 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 65273687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).