4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole

C27H25NOS — CID 58824800

IUPAC4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole
SMILESCc1ccc(-c2nc(C)c(/C=C/c3ccc(OCc4ccccc4)c(C)c3)s2)cc1
InChIInChI=1S/C27H25NOS/c1-19-9-13-24(14-10-19)27-28-21(3)26(30-27)16-12-22-11-15-25(20(2)17-22)29-18-23-7-5-4-6-8-23/h4-17H,18H2,1-3H3/b16-12+
InChIKeyQRUWKJXSIKVUPM-FOWTUZBSSA-N
MW411.57 g/mol
LogP7.48
Rot. Bonds6

About 4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole

4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole (PubChem CID 58824800) has the molecular formula C27H25NOS and a molecular weight of 411.57 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole
PubChem CID58824800
Molecular FormulaC27H25NOS
Molecular Weight411.57 g/mol
Exact Mass411.17
IUPAC Name4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole
SMILESCc1ccc(-c2nc(C)c(/C=C/c3ccc(OCc4ccccc4)c(C)c3)s2)cc1
InChIInChI=1S/C27H25NOS/c1-19-9-13-24(14-10-19)27-28-21(3)26(30-27)16-12-22-11-15-25(20(2)17-22)29-18-23-7-5-4-6-8-23/h4-17H,18H2,1-3H3/b16-12+
InChIKeyQRUWKJXSIKVUPM-FOWTUZBSSA-N
XLogP7.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.57
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole 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

2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
4-[(1E)-3-ethoxybuta-1,3-dienyl]-2-methyl-1-phenylmethoxybenzene
CID 89319080
2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745227
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
2-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole
CID 9037879
2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole
CID 9037847
2-[2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1,3-benzothiazole
CID 5140062
4-methyl-2-[4-[(2,3,5-trimethylphenoxy)methyl]phenyl]-1,3-thiazole-5-carboxylic acid
CID 4980614
6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine
CID 58191816
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
5-methyl-2-(2-phenylethenyl)-4-phenylmethoxypyridine
CID 54482733
(Z)-2-ethoxy-3-(3-methyl-4-phenylmethoxyphenyl)prop-2-enoate
CID 22708434

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole (CID 58824800) is 4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole is Cc1ccc(-c2nc(C)c(/C=C/c3ccc(OCc4ccccc4)c(C)c3)s2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole?
The InChIKey is QRUWKJXSIKVUPM-FOWTUZBSSA-N. The full InChI is InChI=1S/C27H25NOS/c1-19-9-13-24(14-10-19)27-28-21(3)26(30-27)16-12-22-11-15-25(20(2)17-22)29-18-23-7-5-4-6-8-23/h4-17H,18H2,1-3H3/b16-12+.
What are the key properties of 4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole?
4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole has a molecular weight of 411.57 g/mol, XLogP of 7.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)-5-[(E)-2-(3-methyl-4-phenylmethoxyphenyl)ethenyl]-1,3-thiazole is sourced from PubChem (CID 58824800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).