1-(4-propylthiadiazol-5-yl)ethanamine

C7H13N3S — CID 83350164

IUPAC1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(C)N
InChIInChI=1S/C7H13N3S/c1-3-4-6-7(5(2)8)11-10-9-6/h5H,3-4,8H2,1-2H3
InChIKeyMOUGZCGEIYYXDJ-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.51
Rot. Bonds3

About 1-(4-propylthiadiazol-5-yl)ethanamine

1-(4-propylthiadiazol-5-yl)ethanamine (PubChem CID 83350164) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 1-(4-propylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-propylthiadiazol-5-yl)ethanamine
PubChem CID83350164
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(C)N
InChIInChI=1S/C7H13N3S/c1-3-4-6-7(5(2)8)11-10-9-6/h5H,3-4,8H2,1-2H3
InChIKeyMOUGZCGEIYYXDJ-UHFFFAOYSA-N
XLogP1.51
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylthiadiazol-5-yl)ethanamine?
The IUPAC name of 1-(4-propylthiadiazol-5-yl)ethanamine (CID 83350164) is 1-(4-propylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-propylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-propylthiadiazol-5-yl)ethanamine is CCCc1nnsc1C(C)N.
What is the InChIKey of 1-(4-propylthiadiazol-5-yl)ethanamine?
The InChIKey is MOUGZCGEIYYXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-3-4-6-7(5(2)8)11-10-9-6/h5H,3-4,8H2,1-2H3.
What are the key properties of 1-(4-propylthiadiazol-5-yl)ethanamine?
1-(4-propylthiadiazol-5-yl)ethanamine has a molecular weight of 171.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 83350164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).