ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate

C20H16N2O4S — CID 1276627

IUPACethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C20H16N2O4S/c1-2-25-18(23)12-26-14-9-7-13(8-10-14)11-17-19(24)22-16-6-4-3-5-15(16)21-20(22)27-17/h3-11H,2,12H2,1H3/b17-11+
InChIKeyUUBCZKWLLGWHPY-GZTJUZNOSA-N
MW380.43 g/mol
LogP2.40
Rot. Bonds5

About ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate

ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate (PubChem CID 1276627) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate
PubChem CID1276627
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Nameethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C20H16N2O4S/c1-2-25-18(23)12-26-14-9-7-13(8-10-14)11-17-19(24)22-16-6-4-3-5-15(16)21-20(22)27-17/h3-11H,2,12H2,1H3/b17-11+
InChIKeyUUBCZKWLLGWHPY-GZTJUZNOSA-N
XLogP2.40
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate (CID 1276627) is ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate is CCOC(=O)COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1.
What is the InChIKey of ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate?
The InChIKey is UUBCZKWLLGWHPY-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-2-25-18(23)12-26-14-9-7-13(8-10-14)11-17-19(24)22-16-6-4-3-5-15(16)21-20(22)27-17/h3-11H,2,12H2,1H3/b17-11+.
What are the key properties of ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate?
ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate has a molecular weight of 380.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate is sourced from PubChem (CID 1276627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).