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

C9H18N4OS — CID 65209611

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethane-1,2-diamine
SMILESCOCCN(C)CCNc1nnc(C)s1
InChIInChI=1S/C9H18N4OS/c1-8-11-12-9(15-8)10-4-5-13(2)6-7-14-3/h4-7H2,1-3H3,(H,10,12)
InChIKeyOYNMJQCBYUEMLN-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.84
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 65209611) 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 CID65209611
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
SMILESCOCCN(C)CCNc1nnc(C)s1
InChIInChI=1S/C9H18N4OS/c1-8-11-12-9(15-8)10-4-5-13(2)6-7-14-3/h4-7H2,1-3H3,(H,10,12)
InChIKeyOYNMJQCBYUEMLN-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
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-(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 65209611) 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 COCCN(C)CCNc1nnc(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 OYNMJQCBYUEMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-8-11-12-9(15-8)10-4-5-13(2)6-7-14-3/h4-7H2,1-3H3,(H,10,12).
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 0.84, 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 65209611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).