ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate

C16H17N3O3S — CID 108787488

IUPACethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CC2=CSC3=NCCN23)cc1
InChIInChI=1S/C16H17N3O3S/c1-2-22-15(21)11-3-5-12(6-4-11)18-14(20)9-13-10-23-16-17-7-8-19(13)16/h3-6,10H,2,7-9H2,1H3,(H,18,20)
InChIKeyNEBKQEREDQVAFZ-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.45
Rot. Bonds5

About ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate

ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate (PubChem CID 108787488) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
PubChem CID108787488
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Nameethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CC2=CSC3=NCCN23)cc1
InChIInChI=1S/C16H17N3O3S/c1-2-22-15(21)11-3-5-12(6-4-11)18-14(20)9-13-10-23-16-17-7-8-19(13)16/h3-6,10H,2,7-9H2,1H3,(H,18,20)
InChIKeyNEBKQEREDQVAFZ-UHFFFAOYSA-N
XLogP2.45
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 108787628
methyl 3-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate
CID 108800479
N-(4-cyanophenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787570
ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate
CID 108810090
N-(5-acetyl-2-chlorophenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108800556
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 108787696
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2-oxo-1H-pyrimidin-6-yl)acetamide
CID 108800450
ethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
CID 139915502
ethyl 4-(3,3-dimethylbutanoylamino)benzoate
CID 4629358
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
ethyl 4-[3-(4-methylpiperazin-1-yl)propanoylamino]benzoate
CID 109017437
ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878494

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate (CID 108787488) is ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CC2=CSC3=NCCN23)cc1.
What is the InChIKey of ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate?
The InChIKey is NEBKQEREDQVAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-2-22-15(21)11-3-5-12(6-4-11)18-14(20)9-13-10-23-16-17-7-8-19(13)16/h3-6,10H,2,7-9H2,1H3,(H,18,20).
What are the key properties of ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate has a molecular weight of 331.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 108787488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).