2-formyl-1,3-thiazole-4-carboxamide

C5H4N2O2S — CID 11622373

IUPAC2-formyl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(C=O)n1
InChIInChI=1S/C5H4N2O2S/c6-5(9)3-2-10-4(1-8)7-3/h1-2H,(H2,6,9)
InChIKeyPQFPVTMDDZYFPU-UHFFFAOYSA-N
MW156.17 g/mol
LogP0.05
Rot. Bonds2

About 2-formyl-1,3-thiazole-4-carboxamide

2-formyl-1,3-thiazole-4-carboxamide (PubChem CID 11622373) has the molecular formula C5H4N2O2S and a molecular weight of 156.17 g/mol. Its IUPAC name is 2-formyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-formyl-1,3-thiazole-4-carboxamide
PubChem CID11622373
Molecular FormulaC5H4N2O2S
Molecular Weight156.17 g/mol
Exact Mass156.00
IUPAC Name2-formyl-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(C=O)n1
InChIInChI=1S/C5H4N2O2S/c6-5(9)3-2-10-4(1-8)7-3/h1-2H,(H2,6,9)
InChIKeyPQFPVTMDDZYFPU-UHFFFAOYSA-N
XLogP0.05
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 50.05
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-formyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-formyl-1,3-thiazole-4-carboxamide (CID 11622373) is 2-formyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-formyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-formyl-1,3-thiazole-4-carboxamide is NC(=O)c1csc(C=O)n1.
What is the InChIKey of 2-formyl-1,3-thiazole-4-carboxamide?
The InChIKey is PQFPVTMDDZYFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2S/c6-5(9)3-2-10-4(1-8)7-3/h1-2H,(H2,6,9).
What are the key properties of 2-formyl-1,3-thiazole-4-carboxamide?
2-formyl-1,3-thiazole-4-carboxamide has a molecular weight of 156.17 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11622373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).