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

C14H15BrN2S2 — CID 6603455

IUPAC3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.Cc1ccc(SCc2cn3c(C)csc3n2)cc1
InChIInChI=1S/C14H14N2S2.BrH/c1-10-3-5-13(6-4-10)17-9-12-7-16-11(2)8-18-14(16)15-12;/h3-8H,9H2,1-2H3;1H
InChIKeyJUMMMUOBOAORKJ-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.88
Rot. Bonds3

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

3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide (PubChem CID 6603455) has the molecular formula C14H15BrN2S2 and a molecular weight of 355.33 g/mol. Its IUPAC name is 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide.

Molecular Properties

Compound Name3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide
PubChem CID6603455
Molecular FormulaC14H15BrN2S2
Molecular Weight355.33 g/mol
Exact Mass353.99
IUPAC Name3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide
SMILESBr.Cc1ccc(SCc2cn3c(C)csc3n2)cc1
InChIInChI=1S/C14H14N2S2.BrH/c1-10-3-5-13(6-4-10)17-9-12-7-16-11(2)8-18-14(16)15-12;/h3-8H,9H2,1-2H3;1H
InChIKeyJUMMMUOBOAORKJ-UHFFFAOYSA-N
XLogP4.88
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide?
The IUPAC name of 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide (CID 6603455) is 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide.
What is the SMILES notation for 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide?
The canonical SMILES for 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide is Br.Cc1ccc(SCc2cn3c(C)csc3n2)cc1.
What is the InChIKey of 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide?
The InChIKey is JUMMMUOBOAORKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2.BrH/c1-10-3-5-13(6-4-10)17-9-12-7-16-11(2)8-18-14(16)15-12;/h3-8H,9H2,1-2H3;1H.
What are the key properties of 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide?
3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide has a molecular weight of 355.33 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(4-methylphenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole;hydrobromide is sourced from PubChem (CID 6603455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).