1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone

C11H11NOS — CID 84673454

IUPAC1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone
SMILESCCc1nc2cc(C(C)=O)ccc2s1
InChIInChI=1S/C11H11NOS/c1-3-11-12-9-6-8(7(2)13)4-5-10(9)14-11/h4-6H,3H2,1-2H3
InChIKeyUVANWVIUVMQKDV-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.06
Rot. Bonds2

About 1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone

1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone (PubChem CID 84673454) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone
PubChem CID84673454
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone
SMILESCCc1nc2cc(C(C)=O)ccc2s1
InChIInChI=1S/C11H11NOS/c1-3-11-12-9-6-8(7(2)13)4-5-10(9)14-11/h4-6H,3H2,1-2H3
InChIKeyUVANWVIUVMQKDV-UHFFFAOYSA-N
XLogP3.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone?
The IUPAC name of 1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone (CID 84673454) is 1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone is CCc1nc2cc(C(C)=O)ccc2s1.
What is the InChIKey of 1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone?
The InChIKey is UVANWVIUVMQKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-3-11-12-9-6-8(7(2)13)4-5-10(9)14-11/h4-6H,3H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone?
1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone has a molecular weight of 205.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,3-benzothiazol-5-yl)ethanone is sourced from PubChem (CID 84673454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).