N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide

C6H8N2O2S — CID 172999878

IUPACN-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide
SMILESCCNC(=O)c1cc(=O)s[nH]1
InChIInChI=1S/C6H8N2O2S/c1-2-7-6(10)4-3-5(9)11-8-4/h3,8H,2H2,1H3,(H,7,10)
InChIKeyPPIBJFKNOMWBLI-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.19
Rot. Bonds2

About N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide

N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide (PubChem CID 172999878) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide
PubChem CID172999878
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC NameN-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide
SMILESCCNC(=O)c1cc(=O)s[nH]1
InChIInChI=1S/C6H8N2O2S/c1-2-7-6(10)4-3-5(9)11-8-4/h3,8H,2H2,1H3,(H,7,10)
InChIKeyPPIBJFKNOMWBLI-UHFFFAOYSA-N
XLogP0.19
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide?
The IUPAC name of N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide (CID 172999878) is N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide is CCNC(=O)c1cc(=O)s[nH]1.
What is the InChIKey of N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide?
The InChIKey is PPIBJFKNOMWBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-2-7-6(10)4-3-5(9)11-8-4/h3,8H,2H2,1H3,(H,7,10).
What are the key properties of N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide?
N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide has a molecular weight of 172.21 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-oxo-2H-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 172999878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).