2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole

C22H23N2OS+ — CID 8754074

IUPAC2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(C[NH+]3CC=C(c4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C22H22N2OS/c1-25-21-9-7-19(8-10-21)22-23-20(16-26-22)15-24-13-11-18(12-14-24)17-5-3-2-4-6-17/h2-11,16H,12-15H2,1H3/p+1
InChIKeyPLYUAHPULSOAKA-UHFFFAOYSA-O
MW363.51 g/mol
LogP3.69
Rot. Bonds5

About 2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole

2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole (PubChem CID 8754074) has the molecular formula C22H23N2OS+ and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole
PubChem CID8754074
Molecular FormulaC22H23N2OS+
Molecular Weight363.51 g/mol
Exact Mass363.15
IUPAC Name2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole
SMILESCOc1ccc(-c2nc(C[NH+]3CC=C(c4ccccc4)CC3)cs2)cc1
InChIInChI=1S/C22H22N2OS/c1-25-21-9-7-19(8-10-21)22-23-20(16-26-22)15-24-13-11-18(12-14-24)17-5-3-2-4-6-17/h2-11,16H,12-15H2,1H3/p+1
InChIKeyPLYUAHPULSOAKA-UHFFFAOYSA-O
XLogP3.69
TPSA26.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759536
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine;dihydrochloride
CID 71779216
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
2-(4-chlorophenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole
CID 8592232
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111182045
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylethanamine
CID 3031961
5-methoxy-2-[(2-phenyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 24617834
4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7896474

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole (CID 8754074) is 2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole is COc1ccc(-c2nc(C[NH+]3CC=C(c4ccccc4)CC3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole?
The InChIKey is PLYUAHPULSOAKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H22N2OS/c1-25-21-9-7-19(8-10-21)22-23-20(16-26-22)15-24-13-11-18(12-14-24)17-5-3-2-4-6-17/h2-11,16H,12-15H2,1H3/p+1.
What are the key properties of 2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole?
2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole has a molecular weight of 363.51 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 8754074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).