5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole

C12H11N3S2 — CID 166338530

IUPAC5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole
SMILESc1ccc2[nH]c(SCCc3cncs3)nc2c1
InChIInChI=1S/C12H11N3S2/c1-2-4-11-10(3-1)14-12(15-11)16-6-5-9-7-13-8-17-9/h1-4,7-8H,5-6H2,(H,14,15)
InChIKeyDEVXETYNZRFVIU-UHFFFAOYSA-N
MW261.38 g/mol
LogP3.35
Rot. Bonds4

About 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole

5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole (PubChem CID 166338530) has the molecular formula C12H11N3S2 and a molecular weight of 261.38 g/mol. Its IUPAC name is 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole
PubChem CID166338530
Molecular FormulaC12H11N3S2
Molecular Weight261.38 g/mol
Exact Mass261.04
IUPAC Name5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole
SMILESc1ccc2[nH]c(SCCc3cncs3)nc2c1
InChIInChI=1S/C12H11N3S2/c1-2-4-11-10(3-1)14-12(15-11)16-6-5-9-7-13-8-17-9/h1-4,7-8H,5-6H2,(H,14,15)
InChIKeyDEVXETYNZRFVIU-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole 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-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide
CID 134106203
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
CID 22675439
2-[5-(1H-benzimidazol-2-yl)pentylsulfanyl]-1H-benzimidazole
CID 20685286
2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine
CID 22675414
2-octadecylsulfanyl-1H-benzimidazole;hydrobromide
CID 54609164
2-pentylsulfanyl-1H-benzimidazole;hydrobromide
CID 171154912
3-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 720877
4-(1H-benzimidazol-2-ylsulfanyl)-2-methylbutan-2-ol
CID 79175690
3-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-1-amine
CID 61386461
2-(pyridin-3-ylmethylsulfanyl)-1H-benzimidazole
CID 3012526

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole?
The IUPAC name of 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole (CID 166338530) is 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole.
What is the SMILES notation for 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole?
The canonical SMILES for 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole is c1ccc2[nH]c(SCCc3cncs3)nc2c1.
What is the InChIKey of 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole?
The InChIKey is DEVXETYNZRFVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S2/c1-2-4-11-10(3-1)14-12(15-11)16-6-5-9-7-13-8-17-9/h1-4,7-8H,5-6H2,(H,14,15).
What are the key properties of 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole?
5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole has a molecular weight of 261.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-1,3-thiazole is sourced from PubChem (CID 166338530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).