N-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine

C9H18N4OS — CID 65208342

IUPACN-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
SMILESCOCCNCCN(C)c1nnc(C)s1
InChIInChI=1S/C9H18N4OS/c1-8-11-12-9(15-8)13(2)6-4-10-5-7-14-3/h10H,4-7H2,1-3H3
InChIKeyWAYFYDPPRXGRDE-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.52
Rot. Bonds7

About N-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine

N-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine (PubChem CID 65208342) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
PubChem CID65208342
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC NameN-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
SMILESCOCCNCCN(C)c1nnc(C)s1
InChIInChI=1S/C9H18N4OS/c1-8-11-12-9(15-8)13(2)6-4-10-5-7-14-3/h10H,4-7H2,1-3H3
InChIKeyWAYFYDPPRXGRDE-UHFFFAOYSA-N
XLogP0.52
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine (CID 65208342) is N-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine is COCCNCCN(C)c1nnc(C)s1.
What is the InChIKey of N-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
The InChIKey is WAYFYDPPRXGRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-8-11-12-9(15-8)13(2)6-4-10-5-7-14-3/h10H,4-7H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine has a molecular weight of 230.34 g/mol, XLogP of 0.52, 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'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 65208342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).