N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide

C6H5F3N2O2S — CID 81343248

IUPACN-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide
SMILESO=C(NOCC(F)(F)F)c1cscn1
InChIInChI=1S/C6H5F3N2O2S/c7-6(8,9)2-13-11-5(12)4-1-14-3-10-4/h1,3H,2H2,(H,11,12)
InChIKeyUTHBJYIMSWUUES-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.37
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide

N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide (PubChem CID 81343248) has the molecular formula C6H5F3N2O2S and a molecular weight of 226.18 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide
PubChem CID81343248
Molecular FormulaC6H5F3N2O2S
Molecular Weight226.18 g/mol
Exact Mass226.00
IUPAC NameN-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide
SMILESO=C(NOCC(F)(F)F)c1cscn1
InChIInChI=1S/C6H5F3N2O2S/c7-6(8,9)2-13-11-5(12)4-1-14-3-10-4/h1,3H,2H2,(H,11,12)
InChIKeyUTHBJYIMSWUUES-UHFFFAOYSA-N
XLogP1.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide (CID 81343248) is N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide is O=C(NOCC(F)(F)F)c1cscn1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide?
The InChIKey is UTHBJYIMSWUUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2S/c7-6(8,9)2-13-11-5(12)4-1-14-3-10-4/h1,3H,2H2,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide?
N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide has a molecular weight of 226.18 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 81343248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).