N-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C15H21N3O2S — CID 22423095

IUPACN-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCCN(CC)CCNC(=O)Cn1c(=O)sc2ccccc21
InChIInChI=1S/C15H21N3O2S/c1-3-17(4-2)10-9-16-14(19)11-18-12-7-5-6-8-13(12)21-15(18)20/h5-8H,3-4,9-11H2,1-2H3,(H,16,19)
InChIKeyVQEAHZFTAMOOLM-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.52
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 22423095) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID22423095
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESCCN(CC)CCNC(=O)Cn1c(=O)sc2ccccc21
InChIInChI=1S/C15H21N3O2S/c1-3-17(4-2)10-9-16-14(19)11-18-12-7-5-6-8-13(12)21-15(18)20/h5-8H,3-4,9-11H2,1-2H3,(H,16,19)
InChIKeyVQEAHZFTAMOOLM-UHFFFAOYSA-N
XLogP1.52
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 22423095) is N-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is CCN(CC)CCNC(=O)Cn1c(=O)sc2ccccc21.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is VQEAHZFTAMOOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-17(4-2)10-9-16-14(19)11-18-12-7-5-6-8-13(12)21-15(18)20/h5-8H,3-4,9-11H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 22423095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).