2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol

C24H26N2O2S — CID 67622160

IUPAC2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol
SMILESCCN(CCO)CCOc1ccc2nc(Cc3cccc4ccccc34)sc2c1
InChIInChI=1S/C24H26N2O2S/c1-2-26(12-14-27)13-15-28-20-10-11-22-23(17-20)29-24(25-22)16-19-8-5-7-18-6-3-4-9-21(18)19/h3-11,17,27H,2,12-16H2,1H3
InChIKeyULQYNQQMNNEKGL-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.73
Rot. Bonds9

About 2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol

2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol (PubChem CID 67622160) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol
PubChem CID67622160
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol
SMILESCCN(CCO)CCOc1ccc2nc(Cc3cccc4ccccc34)sc2c1
InChIInChI=1S/C24H26N2O2S/c1-2-26(12-14-27)13-15-28-20-10-11-22-23(17-20)29-24(25-22)16-19-8-5-7-18-6-3-4-9-21(18)19/h3-11,17,27H,2,12-16H2,1H3
InChIKeyULQYNQQMNNEKGL-UHFFFAOYSA-N
XLogP4.73
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol with MolForge

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Related Compounds

6-(2-bromoethoxy)-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole
CID 56983130
6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole
CID 57312880
N-[2-(diethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 44925271
2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine
CID 15817632
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-ol
CID 82189843
2-[ethyl-[2-(4-propoxyphenoxy)ethyl]amino]ethanol
CID 60685463
2-[ethyl-[4-[[3-[4-(N-methylanilino)phenyl]-1,2-benzothiazol-6-yl]oxy]butyl]amino]ethanol
CID 22314112
3-[[2-(aminomethyl)-1,3-benzothiazol-6-yl]oxy]propan-1-ol;hydrochloride
CID 146458304
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189832
N-[3-(dimethylamino)propyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 44929779
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118
2-bromo-6-propoxy-1,3-benzothiazole
CID 97033817

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol (CID 67622160) is 2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol is CCN(CCO)CCOc1ccc2nc(Cc3cccc4ccccc34)sc2c1.
What is the InChIKey of 2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol?
The InChIKey is ULQYNQQMNNEKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-2-26(12-14-27)13-15-28-20-10-11-22-23(17-20)29-24(25-22)16-19-8-5-7-18-6-3-4-9-21(18)19/h3-11,17,27H,2,12-16H2,1H3.
What are the key properties of 2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol?
2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol has a molecular weight of 406.55 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol is sourced from PubChem (CID 67622160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).