2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole

C21H23NO2S — CID 84567465

IUPAC2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole
SMILESCOc1ccc(Cc2nc(-c3ccc(OC)c(C(C)C)c3)cs2)cc1
InChIInChI=1S/C21H23NO2S/c1-14(2)18-12-16(7-10-20(18)24-4)19-13-25-21(22-19)11-15-5-8-17(23-3)9-6-15/h5-10,12-14H,11H2,1-4H3
InChIKeyGGVOQJHHYFCYJO-UHFFFAOYSA-N
MW353.49 g/mol
LogP5.54
Rot. Bonds6

About 2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole

2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole (PubChem CID 84567465) has the molecular formula C21H23NO2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole
PubChem CID84567465
Molecular FormulaC21H23NO2S
Molecular Weight353.49 g/mol
Exact Mass353.14
IUPAC Name2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole
SMILESCOc1ccc(Cc2nc(-c3ccc(OC)c(C(C)C)c3)cs2)cc1
InChIInChI=1S/C21H23NO2S/c1-14(2)18-12-16(7-10-20(18)24-4)19-13-25-21(22-19)11-15-5-8-17(23-3)9-6-15/h5-10,12-14H,11H2,1-4H3
InChIKeyGGVOQJHHYFCYJO-UHFFFAOYSA-N
XLogP5.54
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-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

4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567479
4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567435
4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline
CID 84567447
6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 84567419
5-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 53331379
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3299476
4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 60615860
N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 84567446
methyl 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]benzoate
CID 58127683
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
2-[4-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3893486
4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263481

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole (CID 84567465) is 2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole is COc1ccc(Cc2nc(-c3ccc(OC)c(C(C)C)c3)cs2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole?
The InChIKey is GGVOQJHHYFCYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2S/c1-14(2)18-12-16(7-10-20(18)24-4)19-13-25-21(22-19)11-15-5-8-17(23-3)9-6-15/h5-10,12-14H,11H2,1-4H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole?
2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole has a molecular weight of 353.49 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole is sourced from PubChem (CID 84567465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).