N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide

C14H14FN3O4S — CID 34323914

IUPACN-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(COc2cc(F)ccc2[N+](=O)[O-])cs1
InChIInChI=1S/C14H14FN3O4S/c1-3-17(9(2)19)14-16-11(8-23-14)7-22-13-6-10(15)4-5-12(13)18(20)21/h4-6,8H,3,7H2,1-2H3
InChIKeyLOJFXIALDBOBSE-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.14
Rot. Bonds6

About N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 34323914) has the molecular formula C14H14FN3O4S and a molecular weight of 339.35 g/mol. Its IUPAC name is N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID34323914
Molecular FormulaC14H14FN3O4S
Molecular Weight339.35 g/mol
Exact Mass339.07
IUPAC NameN-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(COc2cc(F)ccc2[N+](=O)[O-])cs1
InChIInChI=1S/C14H14FN3O4S/c1-3-17(9(2)19)14-16-11(8-23-14)7-22-13-6-10(15)4-5-12(13)18(20)21/h4-6,8H,3,7H2,1-2H3
InChIKeyLOJFXIALDBOBSE-UHFFFAOYSA-N
XLogP3.14
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide (CID 34323914) is N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(COc2cc(F)ccc2[N+](=O)[O-])cs1.
What is the InChIKey of N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LOJFXIALDBOBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4S/c1-3-17(9(2)19)14-16-11(8-23-14)7-22-13-6-10(15)4-5-12(13)18(20)21/h4-6,8H,3,7H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 339.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[(5-fluoro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 34323914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).