2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde

C5H3NO3S — CID 130867538

IUPAC2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde
SMILESO=Cc1[nH]c(=O)sc1C=O
InChIInChI=1S/C5H3NO3S/c7-1-3-4(2-8)10-5(9)6-3/h1-2H,(H,6,9)
InChIKeyCVHXZDFNNRMHFF-UHFFFAOYSA-N
MW157.15 g/mol
LogP0.06
Rot. Bonds2

About 2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde

2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde (PubChem CID 130867538) has the molecular formula C5H3NO3S and a molecular weight of 157.15 g/mol. Its IUPAC name is 2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde.

Molecular Properties

Compound Name2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde
PubChem CID130867538
Molecular FormulaC5H3NO3S
Molecular Weight157.15 g/mol
Exact Mass156.98
IUPAC Name2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde
SMILESO=Cc1[nH]c(=O)sc1C=O
InChIInChI=1S/C5H3NO3S/c7-1-3-4(2-8)10-5(9)6-3/h1-2H,(H,6,9)
InChIKeyCVHXZDFNNRMHFF-UHFFFAOYSA-N
XLogP0.06
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde?
The IUPAC name of 2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde (CID 130867538) is 2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde.
What is the SMILES notation for 2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde?
The canonical SMILES for 2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde is O=Cc1[nH]c(=O)sc1C=O.
What is the InChIKey of 2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde?
The InChIKey is CVHXZDFNNRMHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO3S/c7-1-3-4(2-8)10-5(9)6-3/h1-2H,(H,6,9).
What are the key properties of 2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde?
2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde has a molecular weight of 157.15 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3H-1,3-thiazole-4,5-dicarbaldehyde is sourced from PubChem (CID 130867538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).