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

C5H10N4S — CID 65267731

IUPACN'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCc1nsc(NCCN)n1
InChIInChI=1S/C5H10N4S/c1-4-8-5(10-9-4)7-3-2-6/h2-3,6H2,1H3,(H,7,8,9)
InChIKeyYQILVHOEZPLKFY-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.22
Rot. Bonds3

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

N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 65267731) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID65267731
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC NameN'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCc1nsc(NCCN)n1
InChIInChI=1S/C5H10N4S/c1-4-8-5(10-9-4)7-3-2-6/h2-3,6H2,1H3,(H,7,8,9)
InChIKeyYQILVHOEZPLKFY-UHFFFAOYSA-N
XLogP0.22
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 65267731) is N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is Cc1nsc(NCCN)n1.
What is the InChIKey of N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is YQILVHOEZPLKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c1-4-8-5(10-9-4)7-3-2-6/h2-3,6H2,1H3,(H,7,8,9).
What are the key properties of N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 158.23 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 65267731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).