6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole

C13H12N2S2 — CID 2997803

IUPAC6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(CSCc2cn3ccsc3n2)cc1
InChIInChI=1S/C13H12N2S2/c1-2-4-11(5-3-1)9-16-10-12-8-15-6-7-17-13(15)14-12/h1-8H,9-10H2
InChIKeyGVBXFVDONRZCQG-UHFFFAOYSA-N
MW260.39 g/mol
LogP3.83
Rot. Bonds4

About 6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole

6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 2997803) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
PubChem CID2997803
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
SMILESc1ccc(CSCc2cn3ccsc3n2)cc1
InChIInChI=1S/C13H12N2S2/c1-2-4-11(5-3-1)9-16-10-12-8-15-6-7-17-13(15)14-12/h1-8H,9-10H2
InChIKeyGVBXFVDONRZCQG-UHFFFAOYSA-N
XLogP3.83
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(benzylsulfanylmethyl)imidazo[2,1-b][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

3-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 760886
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 788156
6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 19022684
Sdccgsbi-0096861.P001
CID 3805128
6-(4-Iodophenyl)-2-methylimidazo[2,1-b][1,3]thiazole
CID 868205
4-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 877648
6-(Thiophen-3-YL)imidazo[2,1-B][1,3]thiazole
CID 10352957
6-(((4-Chlorophenyl)thio)methyl)imidazo[2,1-b]thiazole
CID 658348
6-Methyl-7-(2-methylbenzyl)imidazo[2,1-b][1,3]thiazol-7-ium bromide
CID 2828874
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 3236185
3-Methyl-6-((p-tolylthio)methyl)imidazo[2,1-b]thiazole hydrobromide
CID 6603455

Frequently Asked Questions

What is the IUPAC name of 6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole (CID 2997803) is 6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole is c1ccc(CSCc2cn3ccsc3n2)cc1.
What is the InChIKey of 6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is GVBXFVDONRZCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c1-2-4-11(5-3-1)9-16-10-12-8-15-6-7-17-13(15)14-12/h1-8H,9-10H2.
What are the key properties of 6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole?
6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 260.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 2997803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).