6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

C13H12N2S2 — CID 747988

IUPAC6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(SCc2cn3ccsc3n2)cc1
InChIInChI=1S/C13H12N2S2/c1-10-2-4-12(5-3-10)17-9-11-8-15-6-7-16-13(15)14-11/h2-8H,9H2,1H3
InChIKeyCNWBIJSVZYIRFN-UHFFFAOYSA-N
MW260.39 g/mol
LogP4.00
Rot. Bonds3

About 6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 747988) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID747988
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(SCc2cn3ccsc3n2)cc1
InChIInChI=1S/C13H12N2S2/c1-10-2-4-12(5-3-10)17-9-11-8-15-6-7-16-13(15)14-11/h2-8H,9H2,1H3
InChIKeyCNWBIJSVZYIRFN-UHFFFAOYSA-N
XLogP4.00
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 747988) is 6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is Cc1ccc(SCc2cn3ccsc3n2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is CNWBIJSVZYIRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c1-10-2-4-12(5-3-10)17-9-11-8-15-6-7-16-13(15)14-11/h2-8H,9H2,1H3.
What are the key properties of 6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 260.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 747988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).