[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C16H14FN3O3S — CID 8816583

IUPAC[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2cn3ccsc3n2)cc1F
InChIInChI=1S/C16H14FN3O3S/c1-10-2-3-11(6-13(10)17)18-14(21)9-23-15(22)7-12-8-20-4-5-24-16(20)19-12/h2-6,8H,7,9H2,1H3,(H,18,21)
InChIKeyPFZXLZYWEDDVMR-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.57
Rot. Bonds5

About [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 8816583) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID8816583
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESCc1ccc(NC(=O)COC(=O)Cc2cn3ccsc3n2)cc1F
InChIInChI=1S/C16H14FN3O3S/c1-10-2-3-11(6-13(10)17)18-14(21)9-23-15(22)7-12-8-20-4-5-24-16(20)19-12/h2-6,8H,7,9H2,1H3,(H,18,21)
InChIKeyPFZXLZYWEDDVMR-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 8816583) is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is Cc1ccc(NC(=O)COC(=O)Cc2cn3ccsc3n2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is PFZXLZYWEDDVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-10-2-3-11(6-13(10)17)18-14(21)9-23-15(22)7-12-8-20-4-5-24-16(20)19-12/h2-6,8H,7,9H2,1H3,(H,18,21).
What are the key properties of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 347.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 8816583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).