N'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine

C5H10N4S — CID 70458127

IUPACN'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1ncns1
InChIInChI=1S/C5H10N4S/c6-1-2-7-3-5-8-4-9-10-5/h4,7H,1-3,6H2
InChIKeyXYVWVIMSFBDAEW-UHFFFAOYSA-N
MW158.23 g/mol
LogP-0.41
Rot. Bonds4

About N'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine

N'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 70458127) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is N'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID70458127
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC NameN'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1ncns1
InChIInChI=1S/C5H10N4S/c6-1-2-7-3-5-8-4-9-10-5/h4,7H,1-3,6H2
InChIKeyXYVWVIMSFBDAEW-UHFFFAOYSA-N
XLogP-0.41
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
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'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine (CID 70458127) is N'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine is NCCNCc1ncns1.
What is the InChIKey of N'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is XYVWVIMSFBDAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c6-1-2-7-3-5-8-4-9-10-5/h4,7H,1-3,6H2.
What are the key properties of N'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine?
N'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 158.23 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,4-thiadiazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 70458127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).