2-ethyl-1-(thiadiazol-5-yl)butan-1-amine

C8H15N3S — CID 105168580

IUPAC2-ethyl-1-(thiadiazol-5-yl)butan-1-amine
SMILESCCC(CC)C(N)c1cnns1
InChIInChI=1S/C8H15N3S/c1-3-6(4-2)8(9)7-5-10-11-12-7/h5-6,8H,3-4,9H2,1-2H3
InChIKeyIPXYWEYPUSMOJB-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.97
Rot. Bonds4

About 2-ethyl-1-(thiadiazol-5-yl)butan-1-amine

2-ethyl-1-(thiadiazol-5-yl)butan-1-amine (PubChem CID 105168580) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 2-ethyl-1-(thiadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(thiadiazol-5-yl)butan-1-amine
PubChem CID105168580
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name2-ethyl-1-(thiadiazol-5-yl)butan-1-amine
SMILESCCC(CC)C(N)c1cnns1
InChIInChI=1S/C8H15N3S/c1-3-6(4-2)8(9)7-5-10-11-12-7/h5-6,8H,3-4,9H2,1-2H3
InChIKeyIPXYWEYPUSMOJB-UHFFFAOYSA-N
XLogP1.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(thiadiazol-5-yl)butan-1-amine?
The IUPAC name of 2-ethyl-1-(thiadiazol-5-yl)butan-1-amine (CID 105168580) is 2-ethyl-1-(thiadiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-1-(thiadiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-1-(thiadiazol-5-yl)butan-1-amine is CCC(CC)C(N)c1cnns1.
What is the InChIKey of 2-ethyl-1-(thiadiazol-5-yl)butan-1-amine?
The InChIKey is IPXYWEYPUSMOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-6(4-2)8(9)7-5-10-11-12-7/h5-6,8H,3-4,9H2,1-2H3.
What are the key properties of 2-ethyl-1-(thiadiazol-5-yl)butan-1-amine?
2-ethyl-1-(thiadiazol-5-yl)butan-1-amine has a molecular weight of 185.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(thiadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 105168580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).