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

C8H16N4S — CID 65208285

IUPACN-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
SMILESCCNCCN(C)c1nnc(C)s1
InChIInChI=1S/C8H16N4S/c1-4-9-5-6-12(3)8-11-10-7(2)13-8/h9H,4-6H2,1-3H3
InChIKeyLHQHSZDIVSMUGV-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.89
Rot. Bonds5

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

N-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine (PubChem CID 65208285) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
PubChem CID65208285
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC NameN-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
SMILESCCNCCN(C)c1nnc(C)s1
InChIInChI=1S/C8H16N4S/c1-4-9-5-6-12(3)8-11-10-7(2)13-8/h9H,4-6H2,1-3H3
InChIKeyLHQHSZDIVSMUGV-UHFFFAOYSA-N
XLogP0.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine (CID 65208285) is N-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine is CCNCCN(C)c1nnc(C)s1.
What is the InChIKey of N-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
The InChIKey is LHQHSZDIVSMUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-4-9-5-6-12(3)8-11-10-7(2)13-8/h9H,4-6H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine has a molecular weight of 200.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-N'-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 65208285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).