N-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine

C7H9N3S — CID 105158297

IUPACN-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine
SMILESC#CC(NCC)c1cnns1
InChIInChI=1S/C7H9N3S/c1-3-6(8-4-2)7-5-9-10-11-7/h1,5-6,8H,4H2,2H3
InChIKeyGUBJFHKQYBDQPE-UHFFFAOYSA-N
MW167.24 g/mol
LogP0.82
Rot. Bonds3

About N-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine

N-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine (PubChem CID 105158297) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is N-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine
PubChem CID105158297
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC NameN-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine
SMILESC#CC(NCC)c1cnns1
InChIInChI=1S/C7H9N3S/c1-3-6(8-4-2)7-5-9-10-11-7/h1,5-6,8H,4H2,2H3
InChIKeyGUBJFHKQYBDQPE-UHFFFAOYSA-N
XLogP0.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine?
The IUPAC name of N-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine (CID 105158297) is N-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine?
The canonical SMILES for N-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine is C#CC(NCC)c1cnns1.
What is the InChIKey of N-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine?
The InChIKey is GUBJFHKQYBDQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-3-6(8-4-2)7-5-9-10-11-7/h1,5-6,8H,4H2,2H3.
What are the key properties of N-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine?
N-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine has a molecular weight of 167.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(thiadiazol-5-yl)prop-2-yn-1-amine is sourced from PubChem (CID 105158297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).