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

C17H16FN3O3S — CID 8816468

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(COC(=O)Cc1cn2ccsc2n1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3S/c18-13-3-1-12(2-4-13)5-6-19-15(22)11-24-16(23)9-14-10-21-7-8-25-17(21)20-14/h1-4,7-8,10H,5-6,9,11H2,(H,19,22)
InChIKeyONYOGVLVOGZFBT-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.98
Rot. Bonds7

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

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 8816468) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID8816468
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESO=C(COC(=O)Cc1cn2ccsc2n1)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3S/c18-13-3-1-12(2-4-13)5-6-19-15(22)11-24-16(23)9-14-10-21-7-8-25-17(21)20-14/h1-4,7-8,10H,5-6,9,11H2,(H,19,22)
InChIKeyONYOGVLVOGZFBT-UHFFFAOYSA-N
XLogP1.98
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate with MolForge

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Related Compounds

N-benzyl-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 2997654
N-[2-(4-fluorophenyl)ethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 2998495
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-phenylacetamide
CID 5310425
2-(6-(4-fluorophenyl)imidazo[2,1-b]thiazol-3-yl)-N-(2-morpholinoethyl)acetamide
CID 30675302
2-(6-(4-fluorophenyl)imidazo[2,1-b]thiazol-3-yl)-N-(3-morpholinopropyl)acetamide
CID 30675303
2-(6-(4-fluorophenyl)imidazo[2,1-b]thiazol-3-yl)-N,N-bis(2-methoxyethyl)acetamide
CID 40509451
Sdccgsbi-0117392.P001
CID 45196804
[2-(4-Carbamoylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4007627
[2-(3-Ethylanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4243740
[2-(4-Bromoanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4277893
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4560658
N-(2-methoxyethyl)-2-(6-phenylimidazo[2,1-b]thiazol-3-yl)acetamide
CID 7522374

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 8816468) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is O=C(COC(=O)Cc1cn2ccsc2n1)NCCc1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is ONYOGVLVOGZFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c18-13-3-1-12(2-4-13)5-6-19-15(22)11-24-16(23)9-14-10-21-7-8-25-17(21)20-14/h1-4,7-8,10H,5-6,9,11H2,(H,19,22).
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 361.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 8816468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).