2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole

C22H19NO2S — CID 15050004

IUPAC2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole
SMILESCOC(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C22H19NO2S/c1-24-21(22-23-11-12-26-22)19-7-4-8-20(14-19)25-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-14,21H,15H2,1H3
InChIKeyXUMOXZBAIWUITO-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.61
Rot. Bonds6

About 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole

2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole (PubChem CID 15050004) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole
PubChem CID15050004
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole
SMILESCOC(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1
InChIInChI=1S/C22H19NO2S/c1-24-21(22-23-11-12-26-22)19-7-4-8-20(14-19)25-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-14,21H,15H2,1H3
InChIKeyXUMOXZBAIWUITO-UHFFFAOYSA-N
XLogP5.61
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-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-(1-Methoxy-1-(3-(2-naphthalenylmethoxy)phenyl)propyl)thiazole
CID 164272
2-{(S)-1-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phenyl]-1-methoxy-propyl}-thiazole
CID 10069970
1-Methoxy-6-(naphth-2-yl-methoxy)-1-(thiazol-2-yl)indan
CID 131453
Methyl-[3-(naphthalen-1-yloxy)-3-thiazol-2-yl-propyl]-amine
CID 15015316
2-[1-Methoxy-1-[3-(3-phenyl-2-propynyloxy)phenyl]propyl]thiazole
CID 15049978
1-[3-(Naphthalen-2-ylmethoxy)-phenyl]-1-thiazol-2-yl-butan-1-ol
CID 19773051
2-{1-Methoxy-1-[3-(naphthalen-2-yloxymethyl)-phenyl]-propyl}-thiazole
CID 10362915
7-[3-(1-Methoxy-1-thiazol-2-yl-propyl)-phenoxymethyl]-4-phenyl-3H-naphtho[2,3-c]furan-1-one
CID 10391979
2-{(R)-1-[3-Fluoro-5-(naphthalen-2-ylmethoxy)-phenyl]-1-methoxy-propyl}-thiazole
CID 11742136
1-(4-Methyl-thiazol-2-yl)-1-[3-(naphthalen-2-ylmethoxy)-phenyl]-propan-1-ol
CID 15049997
2-{1-Methoxy-1-[3-(naphthalen-2-ylmethoxy)-phenyl]-ethyl}-thiazole
CID 15050005
4-{1-Methoxy-1-[3-(naphthalen-2-ylmethoxy)-phenyl]-propyl}-thiazole
CID 15050008

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole?
The IUPAC name of 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole (CID 15050004) is 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole is COC(c1cccc(OCc2ccc3ccccc3c2)c1)c1nccs1.
What is the InChIKey of 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole?
The InChIKey is XUMOXZBAIWUITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c1-24-21(22-23-11-12-26-22)19-7-4-8-20(14-19)25-15-16-9-10-17-5-2-3-6-18(17)13-16/h2-14,21H,15H2,1H3.
What are the key properties of 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole?
2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole has a molecular weight of 361.47 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy-[3-(naphthalen-2-ylmethoxy)phenyl]methyl]-1,3-thiazole is sourced from PubChem (CID 15050004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).