2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine

C4H7N3OS2 — CID 58684931

IUPAC2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine
SMILESNCCS(=O)c1nncs1
InChIInChI=1S/C4H7N3OS2/c5-1-2-10(8)4-7-6-3-9-4/h3H,1-2,5H2
InChIKeyMJZYWXBHQYNMNJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP-0.40
Rot. Bonds3

About 2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine

2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine (PubChem CID 58684931) has the molecular formula C4H7N3OS2 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine
PubChem CID58684931
Molecular FormulaC4H7N3OS2
Molecular Weight177.25 g/mol
Exact Mass177.00
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine
SMILESNCCS(=O)c1nncs1
InChIInChI=1S/C4H7N3OS2/c5-1-2-10(8)4-7-6-3-9-4/h3H,1-2,5H2
InChIKeyMJZYWXBHQYNMNJ-UHFFFAOYSA-N
XLogP-0.40
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine (CID 58684931) is 2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine is NCCS(=O)c1nncs1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine?
The InChIKey is MJZYWXBHQYNMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS2/c5-1-2-10(8)4-7-6-3-9-4/h3H,1-2,5H2.
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine?
2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine has a molecular weight of 177.25 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-ylsulfinyl)ethanamine is sourced from PubChem (CID 58684931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).