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

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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).