ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate

C13H16N2O2S — CID 79015781

IUPACethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc3c(n2c1C)CCCC3
InChIInChI=1S/C13H16N2O2S/c1-3-17-12(16)11-8(2)15-10-7-5-4-6-9(10)14-13(15)18-11/h3-7H2,1-2H3
InChIKeyYQIFGQUEJBBMFE-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.76
Rot. Bonds2

About ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate

ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate (PubChem CID 79015781) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate
PubChem CID79015781
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Nameethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate
SMILESCCOC(=O)c1sc2nc3c(n2c1C)CCCC3
InChIInChI=1S/C13H16N2O2S/c1-3-17-12(16)11-8(2)15-10-7-5-4-6-9(10)14-13(15)18-11/h3-7H2,1-2H3
InChIKeyYQIFGQUEJBBMFE-UHFFFAOYSA-N
XLogP2.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

2-Methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
CID 14699444
Ethyl 6-tert-butyl-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 118970975
Ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 118970984
Ethyl 1-(acetyloxymethyl)-6-tert-butyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 118970995
Ethyl 1-ethynyl-5,5,7,7-tetramethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 118971291
Ethane;ethyl 1,5,5,7,7-pentamethyl-6,8-dihydroimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
CID 145044070
Ethyl 2-acetyl-3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 14176240
2-Methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
CID 39197672
Ethyl 2-(1-formyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate
CID 39199023
Ethyl 2-(5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazol-1-yl)acetate
CID 43464966
2-Ethyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
CID 79022382
2-Propyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
CID 79022413

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate?
The IUPAC name of ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate (CID 79015781) is ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate is CCOC(=O)c1sc2nc3c(n2c1C)CCCC3.
What is the InChIKey of ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate?
The InChIKey is YQIFGQUEJBBMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-17-12(16)11-8(2)15-10-7-5-4-6-9(10)14-13(15)18-11/h3-7H2,1-2H3.
What are the key properties of ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate?
ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate has a molecular weight of 264.35 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxylate is sourced from PubChem (CID 79015781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).