ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate

C9H10N2O3S — CID 745471

IUPACethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate
SMILESCCOC(=O)/C=c1/sc2n(c1=O)CCN=2
InChIInChI=1S/C9H10N2O3S/c1-2-14-7(12)5-6-8(13)11-4-3-10-9(11)15-6/h5H,2-4H2,1H3/b6-5+
InChIKeyARQXYDLGZDPYOB-AATRIKPKSA-N
MW226.26 g/mol
LogP-1.11
Rot. Bonds2

About ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate

ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate (PubChem CID 745471) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate
PubChem CID745471
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Nameethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate
SMILESCCOC(=O)/C=c1/sc2n(c1=O)CCN=2
InChIInChI=1S/C9H10N2O3S/c1-2-14-7(12)5-6-8(13)11-4-3-10-9(11)15-6/h5H,2-4H2,1H3/b6-5+
InChIKeyARQXYDLGZDPYOB-AATRIKPKSA-N
XLogP-1.11
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate (CID 745471) is ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate is CCOC(=O)/C=c1/sc2n(c1=O)CCN=2.
What is the InChIKey of ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate?
The InChIKey is ARQXYDLGZDPYOB-AATRIKPKSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-2-14-7(12)5-6-8(13)11-4-3-10-9(11)15-6/h5H,2-4H2,1H3/b6-5+.
What are the key properties of ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate?
ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate has a molecular weight of 226.26 g/mol, XLogP of -1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)acetate is sourced from PubChem (CID 745471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).