3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium

C25H24NS+ — CID 90343205

IUPAC3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium
SMILESCc1cc(C)c(-c2ccccc2)c(-[n+]2csc(C)c2C)c1-c1ccccc1
InChIInChI=1S/C25H24NS/c1-17-15-18(2)24(22-13-9-6-10-14-22)25(26-16-27-20(4)19(26)3)23(17)21-11-7-5-8-12-21/h5-16H,1-4H3/q+1
InChIKeyPZHOXXLFACIEAR-UHFFFAOYSA-N
MW370.54 g/mol
LogP6.59
Rot. Bonds3

About 3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium

3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium (PubChem CID 90343205) has the molecular formula C25H24NS+ and a molecular weight of 370.54 g/mol. Its IUPAC name is 3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium.

Molecular Properties

Compound Name3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium
PubChem CID90343205
Molecular FormulaC25H24NS+
Molecular Weight370.54 g/mol
Exact Mass370.16
IUPAC Name3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium
SMILESCc1cc(C)c(-c2ccccc2)c(-[n+]2csc(C)c2C)c1-c1ccccc1
InChIInChI=1S/C25H24NS/c1-17-15-18(2)24(22-13-9-6-10-14-22)25(26-16-27-20(4)19(26)3)23(17)21-11-7-5-8-12-21/h5-16H,1-4H3/q+1
InChIKeyPZHOXXLFACIEAR-UHFFFAOYSA-N
XLogP6.59
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium 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

3-[2-(3,5-dimethylphenyl)-6-methylphenyl]-4,5-dimethyl-1,3-thiazol-3-ium
CID 90342995
3-(2-iodo-6-methylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium
CID 71294850
3-[2-(3,5-dibromophenyl)-6-methylphenyl]-4,5-dimethyl-1,3-thiazol-3-ium chloride
CID 90342758
1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
1,2,5-trimethyl-3,4-diphenylbenzene
CID 19420158
2,3,5,6-tetramethyl-4-phenyl-1-(2,4,6-trimethylphenyl)pyridin-1-ium
CID 177325132
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
(3,5-dimethyl-2,6-diphenylphenyl)boronic acid
CID 178131684
N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline
CID 167515773
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
5-methyl-4-methylsulfanyl-3-phenyl-1,3-thiazol-3-ium
CID 10357962

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium?
The IUPAC name of 3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium (CID 90343205) is 3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium.
What is the SMILES notation for 3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium?
The canonical SMILES for 3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium is Cc1cc(C)c(-c2ccccc2)c(-[n+]2csc(C)c2C)c1-c1ccccc1.
What is the InChIKey of 3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium?
The InChIKey is PZHOXXLFACIEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24NS/c1-17-15-18(2)24(22-13-9-6-10-14-22)25(26-16-27-20(4)19(26)3)23(17)21-11-7-5-8-12-21/h5-16H,1-4H3/q+1.
What are the key properties of 3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium?
3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium has a molecular weight of 370.54 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-2,6-diphenylphenyl)-4,5-dimethyl-1,3-thiazol-3-ium is sourced from PubChem (CID 90343205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).