2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide

C16H14BrNOS — CID 171114672

IUPAC2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
SMILESBr.COc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H13NOS.BrH/c1-18-14-9-7-13(8-10-14)16-17-15(11-19-16)12-5-3-2-4-6-12;/h2-11H,1H3;1H
InChIKeyOEHJOXMOMSFCMR-UHFFFAOYSA-N
MW348.27 g/mol
LogP5.06
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide

2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide (PubChem CID 171114672) has the molecular formula C16H14BrNOS and a molecular weight of 348.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
PubChem CID171114672
Molecular FormulaC16H14BrNOS
Molecular Weight348.27 g/mol
Exact Mass347.00
IUPAC Name2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
SMILESBr.COc1ccc(-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H13NOS.BrH/c1-18-14-9-7-13(8-10-14)16-17-15(11-19-16)12-5-3-2-4-6-12;/h2-11H,1H3;1H
InChIKeyOEHJOXMOMSFCMR-UHFFFAOYSA-N
XLogP5.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.27
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-4-phenyl-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

Related Compounds

4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 170172156
N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9330105
methyl 3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzoate
CID 18613878
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4782945
4-(4-methoxyphenyl)-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108727456
2-(4-methoxyphenyl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 162536924
(E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108751458

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide?
The IUPAC name of 2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide (CID 171114672) is 2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide?
The canonical SMILES for 2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide is Br.COc1ccc(-c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide?
The InChIKey is OEHJOXMOMSFCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS.BrH/c1-18-14-9-7-13(8-10-14)16-17-15(11-19-16)12-5-3-2-4-6-12;/h2-11H,1H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide?
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide has a molecular weight of 348.27 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide is sourced from PubChem (CID 171114672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).