ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate

C13H16N2O2S — CID 43464966

IUPACethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate
SMILESCCOC(=O)Cc1csc2nc3c(n12)CCCC3
InChIInChI=1S/C13H16N2O2S/c1-2-17-12(16)7-9-8-18-13-14-10-5-3-4-6-11(10)15(9)13/h8H,2-7H2,1H3
InChIKeyTYSXZZHNFNVOLU-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.38
Rot. Bonds3

About ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate

ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate (PubChem CID 43464966) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate
PubChem CID43464966
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Nameethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate
SMILESCCOC(=O)Cc1csc2nc3c(n12)CCCC3
InChIInChI=1S/C13H16N2O2S/c1-2-17-12(16)7-9-8-18-13-14-10-5-3-4-6-11(10)15(9)13/h8H,2-7H2,1H3
InChIKeyTYSXZZHNFNVOLU-UHFFFAOYSA-N
XLogP2.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate?
The IUPAC name of ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate (CID 43464966) is ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate is CCOC(=O)Cc1csc2nc3c(n12)CCCC3.
What is the InChIKey of ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate?
The InChIKey is TYSXZZHNFNVOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-2-17-12(16)7-9-8-18-13-14-10-5-3-4-6-11(10)15(9)13/h8H,2-7H2,1H3.
What are the key properties of ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate?
ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate has a molecular weight of 264.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate is sourced from PubChem (CID 43464966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).