1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine

C8H15N3S — CID 65280536

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCc1nsc(CC(N)CC)n1
InChIInChI=1S/C8H15N3S/c1-3-6(9)5-8-10-7(4-2)11-12-8/h6H,3-5,9H2,1-2H3
InChIKeyDXTBRSZRJGQCOI-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.38
Rot. Bonds4

About 1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine

1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine (PubChem CID 65280536) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine
PubChem CID65280536
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine
SMILESCCc1nsc(CC(N)CC)n1
InChIInChI=1S/C8H15N3S/c1-3-6(9)5-8-10-7(4-2)11-12-8/h6H,3-5,9H2,1-2H3
InChIKeyDXTBRSZRJGQCOI-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine (CID 65280536) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine is CCc1nsc(CC(N)CC)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
The InChIKey is DXTBRSZRJGQCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-6(9)5-8-10-7(4-2)11-12-8/h6H,3-5,9H2,1-2H3.
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 65280536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).