[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C16H13FN4O4S — CID 8816773

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(COC(=O)Cc1cn2ccsc2n1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C16H13FN4O4S/c17-11-3-1-2-4-12(11)19-15(24)20-13(22)9-25-14(23)7-10-8-21-5-6-26-16(21)18-10/h1-6,8H,7,9H2,(H2,19,20,22,24)
InChIKeyDJXXQPGEDAKJQM-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.97
Rot. Bonds5

About [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 8816773) has the molecular formula C16H13FN4O4S and a molecular weight of 376.37 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID8816773
Molecular FormulaC16H13FN4O4S
Molecular Weight376.37 g/mol
Exact Mass376.06
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(COC(=O)Cc1cn2ccsc2n1)NC(=O)Nc1ccccc1F
InChIInChI=1S/C16H13FN4O4S/c17-11-3-1-2-4-12(11)19-15(24)20-13(22)9-25-14(23)7-10-8-21-5-6-26-16(21)18-10/h1-6,8H,7,9H2,(H2,19,20,22,24)
InChIKeyDJXXQPGEDAKJQM-UHFFFAOYSA-N
XLogP1.97
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate 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 [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 8816773) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is O=C(COC(=O)Cc1cn2ccsc2n1)NC(=O)Nc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is DJXXQPGEDAKJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O4S/c17-11-3-1-2-4-12(11)19-15(24)20-13(22)9-25-14(23)7-10-8-21-5-6-26-16(21)18-10/h1-6,8H,7,9H2,(H2,19,20,22,24).
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 376.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 8816773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).