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

C13H16N2O2S — CID 43464896

IUPAC2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid
SMILESCCC1CCc2nc3scc(CC(=O)O)n3c2C1
InChIInChI=1S/C13H16N2O2S/c1-2-8-3-4-10-11(5-8)15-9(6-12(16)17)7-18-13(15)14-10/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyWBOZDSACTQFGOH-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.54
Rot. Bonds3

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

2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid (PubChem CID 43464896) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid
PubChem CID43464896
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid
SMILESCCC1CCc2nc3scc(CC(=O)O)n3c2C1
InChIInChI=1S/C13H16N2O2S/c1-2-8-3-4-10-11(5-8)15-9(6-12(16)17)7-18-13(15)14-10/h7-8H,2-6H2,1H3,(H,16,17)
InChIKeyWBOZDSACTQFGOH-UHFFFAOYSA-N
XLogP2.54
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid (CID 43464896) is 2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid is CCC1CCc2nc3scc(CC(=O)O)n3c2C1.
What is the InChIKey of 2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid?
The InChIKey is WBOZDSACTQFGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-2-8-3-4-10-11(5-8)15-9(6-12(16)17)7-18-13(15)14-10/h7-8H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid?
2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid has a molecular weight of 264.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid is sourced from PubChem (CID 43464896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).