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

C6H12N4S — CID 70458476

IUPACN'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1nsc(CNCCN)n1
InChIInChI=1S/C6H12N4S/c1-5-9-6(11-10-5)4-8-3-2-7/h8H,2-4,7H2,1H3
InChIKeyFFIYYQMPKNQEPU-UHFFFAOYSA-N
MW172.26 g/mol
LogP-0.11
Rot. Bonds4

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

N'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 70458476) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is N'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID70458476
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC NameN'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1nsc(CNCCN)n1
InChIInChI=1S/C6H12N4S/c1-5-9-6(11-10-5)4-8-3-2-7/h8H,2-4,7H2,1H3
InChIKeyFFIYYQMPKNQEPU-UHFFFAOYSA-N
XLogP-0.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 5-0.11
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'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine (CID 70458476) is N'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine is Cc1nsc(CNCCN)n1.
What is the InChIKey of N'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is FFIYYQMPKNQEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-5-9-6(11-10-5)4-8-3-2-7/h8H,2-4,7H2,1H3.
What are the key properties of N'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine?
N'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 172.26 g/mol, XLogP of -0.11, 4 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)methyl]ethane-1,2-diamine is sourced from PubChem (CID 70458476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).