3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol

C20H23NO3S — CID 46703248

IUPAC3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol
SMILESCOc1cc(COCC(C)(C)CO)ccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H23NO3S/c1-20(2,12-22)13-24-11-14-8-9-15(17(10-14)23-3)19-21-16-6-4-5-7-18(16)25-19/h4-10,22H,11-13H2,1-3H3
InChIKeySAUZKZZBKVZYDI-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.51
Rot. Bonds7

About 3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol

3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol (PubChem CID 46703248) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol
PubChem CID46703248
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol
SMILESCOc1cc(COCC(C)(C)CO)ccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H23NO3S/c1-20(2,12-22)13-24-11-14-8-9-15(17(10-14)23-3)19-21-16-6-4-5-7-18(16)25-19/h4-10,22H,11-13H2,1-3H3
InChIKeySAUZKZZBKVZYDI-UHFFFAOYSA-N
XLogP4.51
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol 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-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole
CID 58511530
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
4-(1,3-benzothiazol-2-yl)-2-[5-(1,3-benzothiazol-2-yl)-2-hydroxy-3-methoxyphenyl]-6-methoxyphenol
CID 135767121
2-(2,3-dibromo-5-methoxy-4-phenylmethoxyphenyl)-1,3-benzothiazole
CID 126267456
2-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-1,3-benzothiazole
CID 7919383
2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol
CID 136746012
2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
CID 16766166
2-[2-methoxy-5-(2-phenylethynyl)phenyl]-1,3-benzothiazole
CID 132509007
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307
5-(1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 161368549
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole
CID 141369709

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol (CID 46703248) is 3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol is COc1cc(COCC(C)(C)CO)ccc1-c1nc2ccccc2s1.
What is the InChIKey of 3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol?
The InChIKey is SAUZKZZBKVZYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-20(2,12-22)13-24-11-14-8-9-15(17(10-14)23-3)19-21-16-6-4-5-7-18(16)25-19/h4-10,22H,11-13H2,1-3H3.
What are the key properties of 3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol?
3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol has a molecular weight of 357.48 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,3-benzothiazol-2-yl)-3-methoxyphenyl]methoxy]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 46703248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).