2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine

C11H22N4S — CID 65275524

IUPAC2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
SMILESCCCc1nsc(NC(CC)(CC)CN)n1
InChIInChI=1S/C11H22N4S/c1-4-7-9-13-10(16-15-9)14-11(5-2,6-3)8-12/h4-8,12H2,1-3H3,(H,13,14,15)
InChIKeyNYZMYCWWAWEZDA-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.42
Rot. Bonds7

About 2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine

2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine (PubChem CID 65275524) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
PubChem CID65275524
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
SMILESCCCc1nsc(NC(CC)(CC)CN)n1
InChIInChI=1S/C11H22N4S/c1-4-7-9-13-10(16-15-9)14-11(5-2,6-3)8-12/h4-8,12H2,1-3H3,(H,13,14,15)
InChIKeyNYZMYCWWAWEZDA-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine (CID 65275524) is 2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine is CCCc1nsc(NC(CC)(CC)CN)n1.
What is the InChIKey of 2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The InChIKey is NYZMYCWWAWEZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-4-7-9-13-10(16-15-9)14-11(5-2,6-3)8-12/h4-8,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine has a molecular weight of 242.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine is sourced from PubChem (CID 65275524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).