[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

C16H14FN3O3S — CID 8817304

IUPAC[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESC[C@H](OC(=O)Cc1cn2ccsc2n1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O3S/c1-10(15(22)18-12-4-2-11(17)3-5-12)23-14(21)8-13-9-20-6-7-24-16(20)19-13/h2-7,9-10H,8H2,1H3,(H,18,22)/t10-/m0/s1
InChIKeyFADIUHPVEREXGP-JTQLQIEISA-N
MW347.37 g/mol
LogP2.65
Rot. Bonds5

About [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (PubChem CID 8817304) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.

Molecular Properties

Compound Name[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
PubChem CID8817304
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
SMILESC[C@H](OC(=O)Cc1cn2ccsc2n1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O3S/c1-10(15(22)18-12-4-2-11(17)3-5-12)23-14(21)8-13-9-20-6-7-24-16(20)19-13/h2-7,9-10H,8H2,1H3,(H,18,22)/t10-/m0/s1
InChIKeyFADIUHPVEREXGP-JTQLQIEISA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate with MolForge

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Related Compounds

2-(6-Imidazo[2,1-b]thiazolyl)acetic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester
CID 2998514
[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
2-{imidazo[2,1-b][1,3]thiazol-6-yl}-N-phenylacetamide
CID 4623847
[2-(2-Fluoroanilino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 3293079
[2-[4-(Difluoromethoxy)anilino]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4391532
[2-Oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 4464199
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 8360391
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 8360392
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 8360407

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The IUPAC name of [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate (CID 8817304) is [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate.
What is the SMILES notation for [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The canonical SMILES for [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is C[C@H](OC(=O)Cc1cn2ccsc2n1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
The InChIKey is FADIUHPVEREXGP-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-10(15(22)18-12-4-2-11(17)3-5-12)23-14(21)8-13-9-20-6-7-24-16(20)19-13/h2-7,9-10H,8H2,1H3,(H,18,22)/t10-/m0/s1.
What are the key properties of [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate?
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate has a molecular weight of 347.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate is sourced from PubChem (CID 8817304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).