1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol

C4H7N3S2 — CID 129014452

IUPAC1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol
SMILESCC(S)c1nnc(N)s1
InChIInChI=1S/C4H7N3S2/c1-2(8)3-6-7-4(5)9-3/h2,8H,1H3,(H2,5,7)
InChIKeyQPDJKQSRGTVTJW-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.11
Rot. Bonds1

About 1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol

1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol (PubChem CID 129014452) has the molecular formula C4H7N3S2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol.

Molecular Properties

Compound Name1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol
PubChem CID129014452
Molecular FormulaC4H7N3S2
Molecular Weight161.25 g/mol
Exact Mass161.01
IUPAC Name1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol
SMILESCC(S)c1nnc(N)s1
InChIInChI=1S/C4H7N3S2/c1-2(8)3-6-7-4(5)9-3/h2,8H,1H3,(H2,5,7)
InChIKeyQPDJKQSRGTVTJW-UHFFFAOYSA-N
XLogP1.11
TPSA51.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol?
The IUPAC name of 1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol (CID 129014452) is 1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol.
What is the SMILES notation for 1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol?
The canonical SMILES for 1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol is CC(S)c1nnc(N)s1.
What is the InChIKey of 1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol?
The InChIKey is QPDJKQSRGTVTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S2/c1-2(8)3-6-7-4(5)9-3/h2,8H,1H3,(H2,5,7).
What are the key properties of 1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol?
1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol has a molecular weight of 161.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,3,4-thiadiazol-2-yl)ethanethiol is sourced from PubChem (CID 129014452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).