N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide

C13H16N2O2S — CID 22577353

IUPACN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
SMILESCCn1c(=O)sc2cc(NC(=O)C(C)C)ccc21
InChIInChI=1S/C13H16N2O2S/c1-4-15-10-6-5-9(14-12(16)8(2)3)7-11(10)18-13(15)17/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyTVZSOEXFOASATK-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.68
Rot. Bonds3

About N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide (PubChem CID 22577353) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
PubChem CID22577353
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide
SMILESCCn1c(=O)sc2cc(NC(=O)C(C)C)ccc21
InChIInChI=1S/C13H16N2O2S/c1-4-15-10-6-5-9(14-12(16)8(2)3)7-11(10)18-13(15)17/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyTVZSOEXFOASATK-UHFFFAOYSA-N
XLogP2.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-phenylsulfanylpropanamide
CID 133203750
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)propanamide
CID 100543193
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 133235010
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-1-yloxypropanamide
CID 100543359
(2S)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(2-propan-2-ylphenoxy)propanamide
CID 100544357
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenyl)acetamide
CID 46352529
(2R)-2-(2,3-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100544384
(2R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-fluorophenoxy)butanamide
CID 100544474
(2R)-2-(4-tert-butylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100547502
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100541457
(2S)-2-(2-chlorophenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 100544446
2-(2,4-dimethylphenoxy)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)butanamide
CID 133235126

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide?
The IUPAC name of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide (CID 22577353) is N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide?
The canonical SMILES for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide is CCn1c(=O)sc2cc(NC(=O)C(C)C)ccc21.
What is the InChIKey of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide?
The InChIKey is TVZSOEXFOASATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-4-15-10-6-5-9(14-12(16)8(2)3)7-11(10)18-13(15)17/h5-8H,4H2,1-3H3,(H,14,16).
What are the key properties of N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide?
N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide has a molecular weight of 264.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-2-methylpropanamide is sourced from PubChem (CID 22577353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).