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

C15H12FN3O3S — CID 8816557

IUPAC[2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(COC(=O)Cc1cn2ccsc2n1)Nc1cccc(F)c1
InChIInChI=1S/C15H12FN3O3S/c16-10-2-1-3-11(6-10)17-13(20)9-22-14(21)7-12-8-19-4-5-23-15(19)18-12/h1-6,8H,7,9H2,(H,17,20)
InChIKeyYVDMGKGFZYETMG-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.26
Rot. Bonds5

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

[2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 8816557) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is [2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID8816557
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name[2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(COC(=O)Cc1cn2ccsc2n1)Nc1cccc(F)c1
InChIInChI=1S/C15H12FN3O3S/c16-10-2-1-3-11(6-10)17-13(20)9-22-14(21)7-12-8-19-4-5-23-15(19)18-12/h1-6,8H,7,9H2,(H,17,20)
InChIKeyYVDMGKGFZYETMG-UHFFFAOYSA-N
XLogP2.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 8816557) is [2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is O=C(COC(=O)Cc1cn2ccsc2n1)Nc1cccc(F)c1.
What is the InChIKey of [2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is YVDMGKGFZYETMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c16-10-2-1-3-11(6-10)17-13(20)9-22-14(21)7-12-8-19-4-5-23-15(19)18-12/h1-6,8H,7,9H2,(H,17,20).
What are the key properties of [2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 333.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 8816557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).