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

C11H12N2O2S — CID 43464932

IUPAC2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid
SMILESO=C(O)Cc1csc2nc3c(n12)CCCC3
InChIInChI=1S/C11H12N2O2S/c14-10(15)5-7-6-16-11-12-8-3-1-2-4-9(8)13(7)11/h6H,1-5H2,(H,14,15)
InChIKeyRMNBBKMOVFCIOG-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.90
Rot. Bonds2

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

2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid (PubChem CID 43464932) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid
PubChem CID43464932
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid
SMILESO=C(O)Cc1csc2nc3c(n12)CCCC3
InChIInChI=1S/C11H12N2O2S/c14-10(15)5-7-6-16-11-12-8-3-1-2-4-9(8)13(7)11/h6H,1-5H2,(H,14,15)
InChIKeyRMNBBKMOVFCIOG-UHFFFAOYSA-N
XLogP1.90
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid (CID 43464932) is 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid is O=C(O)Cc1csc2nc3c(n12)CCCC3.
What is the InChIKey of 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid?
The InChIKey is RMNBBKMOVFCIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-10(15)5-7-6-16-11-12-8-3-1-2-4-9(8)13(7)11/h6H,1-5H2,(H,14,15).
What are the key properties of 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid?
2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid has a molecular weight of 236.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetic acid is sourced from PubChem (CID 43464932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).