6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide

C14H15BrN2S — CID 2828874

IUPAC6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide
SMILESCc1ccccc1Cn1c(C)c[n+]2ccsc12.[Br-]
InChIInChI=1S/C14H15N2S.BrH/c1-11-5-3-4-6-13(11)10-16-12(2)9-15-7-8-17-14(15)16;/h3-9H,10H2,1-2H3;1H/q+1;/p-1
InChIKeyYPPDTRPJBPTELX-UHFFFAOYSA-M
MW323.26 g/mol
LogP-0.04
Rot. Bonds2

About 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide

6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide (PubChem CID 2828874) has the molecular formula C14H15BrN2S and a molecular weight of 323.26 g/mol. Its IUPAC name is 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide.

Molecular Properties

Compound Name6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide
PubChem CID2828874
Molecular FormulaC14H15BrN2S
Molecular Weight323.26 g/mol
Exact Mass322.01
IUPAC Name6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide
SMILESCc1ccccc1Cn1c(C)c[n+]2ccsc12.[Br-]
InChIInChI=1S/C14H15N2S.BrH/c1-11-5-3-4-6-13(11)10-16-12(2)9-15-7-8-17-14(15)16;/h3-9H,10H2,1-2H3;1H/q+1;/p-1
InChIKeyYPPDTRPJBPTELX-UHFFFAOYSA-M
XLogP-0.04
TPSA9.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide 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

6-Phenyl-2,3-dihydroimidazo(2,1-b)thiazole
CID 432820
3-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Pifithrin-Beta
CID 443278
[1,3]Thiazolo[3,2-a]benzimidazole
CID 658562
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
2-Phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 760886
6-(3-Chlorophenyl)-2-methylimidazo(2,1-b)(1,3)thiazole
CID 868206
6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 19022684
4-[2-[(Dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579299
6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 44579351

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide?
The IUPAC name of 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide (CID 2828874) is 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide.
What is the SMILES notation for 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide?
The canonical SMILES for 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide is Cc1ccccc1Cn1c(C)c[n+]2ccsc12.[Br-].
What is the InChIKey of 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide?
The InChIKey is YPPDTRPJBPTELX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15N2S.BrH/c1-11-5-3-4-6-13(11)10-16-12(2)9-15-7-8-17-14(15)16;/h3-9H,10H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide?
6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide has a molecular weight of 323.26 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium bromide is sourced from PubChem (CID 2828874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).