2-(1,2-thiazol-3-yl)ethanethial

C5H5NS2 — CID 54314799

IUPAC2-(1,2-thiazol-3-yl)ethanethial
SMILESS=CCc1ccsn1
InChIInChI=1S/C5H5NS2/c7-3-1-5-2-4-8-6-5/h2-4H,1H2
InChIKeyMQPZXGMDQRFWQA-UHFFFAOYSA-N
MW143.24 g/mol
LogP1.69
Rot. Bonds2

About 2-(1,2-thiazol-3-yl)ethanethial

2-(1,2-thiazol-3-yl)ethanethial (PubChem CID 54314799) has the molecular formula C5H5NS2 and a molecular weight of 143.24 g/mol. Its IUPAC name is 2-(1,2-thiazol-3-yl)ethanethial.

Molecular Properties

Compound Name2-(1,2-thiazol-3-yl)ethanethial
PubChem CID54314799
Molecular FormulaC5H5NS2
Molecular Weight143.24 g/mol
Exact Mass142.99
IUPAC Name2-(1,2-thiazol-3-yl)ethanethial
SMILESS=CCc1ccsn1
InChIInChI=1S/C5H5NS2/c7-3-1-5-2-4-8-6-5/h2-4H,1H2
InChIKeyMQPZXGMDQRFWQA-UHFFFAOYSA-N
XLogP1.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-3-yl)ethanethial?
The IUPAC name of 2-(1,2-thiazol-3-yl)ethanethial (CID 54314799) is 2-(1,2-thiazol-3-yl)ethanethial.
What is the SMILES notation for 2-(1,2-thiazol-3-yl)ethanethial?
The canonical SMILES for 2-(1,2-thiazol-3-yl)ethanethial is S=CCc1ccsn1.
What is the InChIKey of 2-(1,2-thiazol-3-yl)ethanethial?
The InChIKey is MQPZXGMDQRFWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS2/c7-3-1-5-2-4-8-6-5/h2-4H,1H2.
What are the key properties of 2-(1,2-thiazol-3-yl)ethanethial?
2-(1,2-thiazol-3-yl)ethanethial has a molecular weight of 143.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-3-yl)ethanethial is sourced from PubChem (CID 54314799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).