2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole

C13H11NOS2 — CID 86079669

IUPAC2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole
SMILESc1ccc2sc(OCCc3ccsc3)nc2c1
InChIInChI=1S/C13H11NOS2/c1-2-4-12-11(3-1)14-13(17-12)15-7-5-10-6-8-16-9-10/h1-4,6,8-9H,5,7H2
InChIKeyAFKPLILKBMBSET-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.98
Rot. Bonds4

About 2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole

2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole (PubChem CID 86079669) has the molecular formula C13H11NOS2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole
PubChem CID86079669
Molecular FormulaC13H11NOS2
Molecular Weight261.37 g/mol
Exact Mass261.03
IUPAC Name2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole
SMILESc1ccc2sc(OCCc3ccsc3)nc2c1
InChIInChI=1S/C13H11NOS2/c1-2-4-12-11(3-1)14-13(17-12)15-7-5-10-6-8-16-9-10/h1-4,6,8-9H,5,7H2
InChIKeyAFKPLILKBMBSET-UHFFFAOYSA-N
XLogP3.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thiophen-3-ylmethyl)-1,3-benzothiazole
CID 102192956
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-thiophen-3-ylethyl)acetamide
CID 46399966
2-[(3,5-dimethoxyphenyl)methoxy]-1,3-benzothiazole
CID 162662494
2-ethylsulfanyl-1,3-benzothiazole;2-hexoxy-1,3-benzothiazole
CID 159562936
2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride
CID 71636566
3-[2-(2-ethylphenoxy)ethyl]thiophene
CID 64764009
1-(1,3-benzothiazol-2-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105169666
3-(1H-pyrazol-5-yl)-4-(2-thiophen-3-ylethoxy)quinolin-2-amine
CID 175901261
2-(pyrrolidin-3-ylmethoxy)-1,3-benzothiazole
CID 62372647
1-(1,3-benzothiazol-2-yloxy)-3-hydroxybutan-2-one
CID 70512470
3-[2-(3,3-diphenylpropoxy)ethyl]thiophene
CID 101402124
6-(1,3-benzothiazol-2-yloxy)-N-methyl-N-prop-2-enylhexan-1-amine
CID 57191081

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole?
The IUPAC name of 2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole (CID 86079669) is 2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole?
The canonical SMILES for 2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole is c1ccc2sc(OCCc3ccsc3)nc2c1.
What is the InChIKey of 2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole?
The InChIKey is AFKPLILKBMBSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS2/c1-2-4-12-11(3-1)14-13(17-12)15-7-5-10-6-8-16-9-10/h1-4,6,8-9H,5,7H2.
What are the key properties of 2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole?
2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole has a molecular weight of 261.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-ylethoxy)-1,3-benzothiazole is sourced from PubChem (CID 86079669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).