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

C16H17N3O4S — CID 3780273

IUPACethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CC2SC3=NCCN3C2=O)cc1
InChIInChI=1S/C16H17N3O4S/c1-2-23-15(22)10-3-5-11(6-4-10)18-13(20)9-12-14(21)19-8-7-17-16(19)24-12/h3-6,12H,2,7-9H2,1H3,(H,18,20)
InChIKeyCPEFSQHAMBBYAD-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.51
Rot. Bonds5

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

ethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate (PubChem CID 3780273) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is ethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate
PubChem CID3780273
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Nameethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CC2SC3=NCCN3C2=O)cc1
InChIInChI=1S/C16H17N3O4S/c1-2-23-15(22)10-3-5-11(6-4-10)18-13(20)9-12-14(21)19-8-7-17-16(19)24-12/h3-6,12H,2,7-9H2,1H3,(H,18,20)
InChIKeyCPEFSQHAMBBYAD-UHFFFAOYSA-N
XLogP1.51
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate (CID 3780273) is ethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CC2SC3=NCCN3C2=O)cc1.
What is the InChIKey of ethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate?
The InChIKey is CPEFSQHAMBBYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-2-23-15(22)10-3-5-11(6-4-10)18-13(20)9-12-14(21)19-8-7-17-16(19)24-12/h3-6,12H,2,7-9H2,1H3,(H,18,20).
What are the key properties of ethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate has a molecular weight of 347.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino]benzoate is sourced from PubChem (CID 3780273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).