methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate

C15H15N3O2S — CID 107039676

IUPACmethyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C15H15N3O2S/c1-20-15(19)7-6-10-9-21-14(16-10)8-13-17-11-4-2-3-5-12(11)18-13/h2-5,9H,6-8H2,1H3,(H,17,18)
InChIKeyUBLMRDDTRSMZPC-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.72
Rot. Bonds5

About methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate

methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 107039676) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate
PubChem CID107039676
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Namemethyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C15H15N3O2S/c1-20-15(19)7-6-10-9-21-14(16-10)8-13-17-11-4-2-3-5-12(11)18-13/h2-5,9H,6-8H2,1H3,(H,17,18)
InChIKeyUBLMRDDTRSMZPC-UHFFFAOYSA-N
XLogP2.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate 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

methyl 3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 107039673
[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 63638262
methyl 6-(1H-benzimidazol-2-yl)hexanoate
CID 11265100
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799
methyl 2-[2-(1H-benzimidazol-2-yl)ethylsulfamoyl]acetate
CID 61456840
methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 107039759
methyl 4-(1H-benzimidazol-2-ylmethylsulfamoyl)butanoate
CID 78991617
methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate
CID 75430006
methyl 3-[2-[(E)-2-phenylprop-1-enyl]-1,3-thiazol-4-yl]propanoate
CID 170775676
methyl 3-[2-[(2-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]propanoate
CID 107039787
methyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-thiophen-2-ylpropanoate
CID 42937953
methyl 2-(1H-benzimidazol-2-ylmethylsulfamoyl)acetate
CID 78991650

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate (CID 107039676) is methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(Cc2nc3ccccc3[nH]2)n1.
What is the InChIKey of methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is UBLMRDDTRSMZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-20-15(19)7-6-10-9-21-14(16-10)8-13-17-11-4-2-3-5-12(11)18-13/h2-5,9H,6-8H2,1H3,(H,17,18).
What are the key properties of methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 301.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).