1-(thiadiazol-4-yl)ethyl formate

C5H6N2O2S — CID 174442727

IUPAC1-(thiadiazol-4-yl)ethyl formate
SMILESCC(OC=O)c1csnn1
InChIInChI=1S/C5H6N2O2S/c1-4(9-3-8)5-2-10-7-6-5/h2-4H,1H3
InChIKeyJYZVXQWJZRWSEW-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.77
Rot. Bonds3

About 1-(thiadiazol-4-yl)ethyl formate

1-(thiadiazol-4-yl)ethyl formate (PubChem CID 174442727) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-(thiadiazol-4-yl)ethyl formate.

Molecular Properties

Compound Name1-(thiadiazol-4-yl)ethyl formate
PubChem CID174442727
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Name1-(thiadiazol-4-yl)ethyl formate
SMILESCC(OC=O)c1csnn1
InChIInChI=1S/C5H6N2O2S/c1-4(9-3-8)5-2-10-7-6-5/h2-4H,1H3
InChIKeyJYZVXQWJZRWSEW-UHFFFAOYSA-N
XLogP0.77
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-4-yl)ethyl formate?
The IUPAC name of 1-(thiadiazol-4-yl)ethyl formate (CID 174442727) is 1-(thiadiazol-4-yl)ethyl formate.
What is the SMILES notation for 1-(thiadiazol-4-yl)ethyl formate?
The canonical SMILES for 1-(thiadiazol-4-yl)ethyl formate is CC(OC=O)c1csnn1.
What is the InChIKey of 1-(thiadiazol-4-yl)ethyl formate?
The InChIKey is JYZVXQWJZRWSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-4(9-3-8)5-2-10-7-6-5/h2-4H,1H3.
What are the key properties of 1-(thiadiazol-4-yl)ethyl formate?
1-(thiadiazol-4-yl)ethyl formate has a molecular weight of 158.18 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-4-yl)ethyl formate is sourced from PubChem (CID 174442727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).