4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide

C6H8N2O2S — CID 130696117

IUPAC4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESCCc1ncsc1C(=O)NO
InChIInChI=1S/C6H8N2O2S/c1-2-4-5(6(9)8-10)11-3-7-4/h3,10H,2H2,1H3,(H,8,9)
InChIKeyGALWKNFRHAVMEG-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.82
Rot. Bonds2

About 4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide

4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide (PubChem CID 130696117) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide
PubChem CID130696117
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide
SMILESCCc1ncsc1C(=O)NO
InChIInChI=1S/C6H8N2O2S/c1-2-4-5(6(9)8-10)11-3-7-4/h3,10H,2H2,1H3,(H,8,9)
InChIKeyGALWKNFRHAVMEG-UHFFFAOYSA-N
XLogP0.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide (CID 130696117) is 4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide is CCc1ncsc1C(=O)NO.
What is the InChIKey of 4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide?
The InChIKey is GALWKNFRHAVMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-2-4-5(6(9)8-10)11-3-7-4/h3,10H,2H2,1H3,(H,8,9).
What are the key properties of 4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide?
4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide has a molecular weight of 172.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-hydroxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 130696117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).