N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine

C9H18N4S — CID 65276265

IUPACN'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine
SMILESCNCCNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C9H18N4S/c1-9(2,3)7-12-8(14-13-7)11-6-5-10-4/h10H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyAZNWWEOAAAWMOZ-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.47
Rot. Bonds4

About N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine

N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine (PubChem CID 65276265) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine
PubChem CID65276265
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC NameN'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine
SMILESCNCCNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C9H18N4S/c1-9(2,3)7-12-8(14-13-7)11-6-5-10-4/h10H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyAZNWWEOAAAWMOZ-UHFFFAOYSA-N
XLogP1.47
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.47
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-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine (CID 65276265) is N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine is CNCCNc1nc(C(C)(C)C)ns1.
What is the InChIKey of N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine?
The InChIKey is AZNWWEOAAAWMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-9(2,3)7-12-8(14-13-7)11-6-5-10-4/h10H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine?
N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine has a molecular weight of 214.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 65276265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).