2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide

C11H12INS — CID 158148527

IUPAC2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide
SMILESCc1csc(C)[n+]1-c1ccccc1.[I-]
InChIInChI=1S/C11H12NS.HI/c1-9-8-13-10(2)12(9)11-6-4-3-5-7-11;/h3-8H,1-2H3;1H/q+1;/p-1
InChIKeyFUUSBVGKMHMDDR-UHFFFAOYSA-M
MW317.20 g/mol
LogP-0.35
Rot. Bonds1

About 2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide

2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide (PubChem CID 158148527) has the molecular formula C11H12INS and a molecular weight of 317.20 g/mol. Its IUPAC name is 2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide.

Molecular Properties

Compound Name2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide
PubChem CID158148527
Molecular FormulaC11H12INS
Molecular Weight317.20 g/mol
Exact Mass316.97
IUPAC Name2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide
SMILESCc1csc(C)[n+]1-c1ccccc1.[I-]
InChIInChI=1S/C11H12NS.HI/c1-9-8-13-10(2)12(9)11-6-4-3-5-7-11;/h3-8H,1-2H3;1H/q+1;/p-1
InChIKeyFUUSBVGKMHMDDR-UHFFFAOYSA-M
XLogP-0.35
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trimethyl-1,3-thiazol-3-ium iodide
CID 2777821
2-methyl-3-phenyl-1,3-benzothiazol-3-ium chloride
CID 159728385
2-methyl-1,4,6-triphenylpyridin-1-ium
CID 3702073
1-(5-acetyl-2,6-dimethyl-1-phenylpyridin-1-ium-3-yl)ethanone
CID 15460808
5,10-diphenylphenazine-5,10-diium
CID 72766780
2,6-dimethyl-1-phenyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium
CID 168892713
4-methyl-2-methylsulfanyl-3-[2,3,4-trimethyl-5-(4-methyl-2-methylsulfanyl-1,3-thiazol-3-ium-3-yl)phenyl]-1,3-thiazol-3-ium diiodide
CID 10842096
3-methyl-[1,3]thiazolo[3,2-c]quinazolin-4-ium iodide
CID 155288892
CID 151311701
CID 151311701
3,4-dimethyl-2-(2-phenylethenyl)-1,3-thiazol-3-ium
CID 59693491
3-ethyl-2-methyl-4-(4-phenylphenyl)-1,3-thiazol-3-ium
CID 54222066
5,7-dimethyl-N,4-diphenylpyrazolo[1,5-a]pyrimidin-4-ium-2-amine
CID 4829554

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide?
The IUPAC name of 2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide (CID 158148527) is 2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide.
What is the SMILES notation for 2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide?
The canonical SMILES for 2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide is Cc1csc(C)[n+]1-c1ccccc1.[I-].
What is the InChIKey of 2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide?
The InChIKey is FUUSBVGKMHMDDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12NS.HI/c1-9-8-13-10(2)12(9)11-6-4-3-5-7-11;/h3-8H,1-2H3;1H/q+1;/p-1.
What are the key properties of 2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide?
2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide has a molecular weight of 317.20 g/mol, XLogP of -0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-phenyl-1,3-thiazol-3-ium iodide is sourced from PubChem (CID 158148527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).