2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole

C16H15NO3S — CID 162662494

IUPAC2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole
SMILESCOc1cc(COc2nc3ccccc3s2)cc(OC)c1
InChIInChI=1S/C16H15NO3S/c1-18-12-7-11(8-13(9-12)19-2)10-20-16-17-14-5-3-4-6-15(14)21-16/h3-9H,10H2,1-2H3
InChIKeyLSYXUGVUOSNPHA-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.89
Rot. Bonds5

About 2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole

2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole (PubChem CID 162662494) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole
PubChem CID162662494
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole
SMILESCOc1cc(COc2nc3ccccc3s2)cc(OC)c1
InChIInChI=1S/C16H15NO3S/c1-18-12-7-11(8-13(9-12)19-2)10-20-16-17-14-5-3-4-6-15(14)21-16/h3-9H,10H2,1-2H3
InChIKeyLSYXUGVUOSNPHA-UHFFFAOYSA-N
XLogP3.89
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxyaniline
CID 60672849
2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole
CID 86079669
N'-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetohydrazide
CID 920195
5-(1,3-benzothiazol-2-yl)-2-N-[(3,5-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 70644017
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 8699405
2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol
CID 136746012
2-(1,3-benzothiazol-2-yloxy)acetic acid;N-methylaniline
CID 70566955
1-(1,3-benzothiazol-2-yloxy)-3-hydroxybutan-2-one
CID 70512470
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzothiazol-2-amine
CID 133390194
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 16911452
2-methylsulfanyloxy-1,3-benzothiazole
CID 175220247
2-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-1,3-benzothiazole
CID 7919383

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole (CID 162662494) is 2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole is COc1cc(COc2nc3ccccc3s2)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole?
The InChIKey is LSYXUGVUOSNPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-18-12-7-11(8-13(9-12)19-2)10-20-16-17-14-5-3-4-6-15(14)21-16/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole?
2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole has a molecular weight of 301.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole is sourced from PubChem (CID 162662494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).