2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide

C14H17N3O2S — CID 24644803

IUPAC2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(=O)NC(C)C(=O)Nc1nc2c(C)cc(C)cc2s1
InChIInChI=1S/C14H17N3O2S/c1-7-5-8(2)12-11(6-7)20-14(16-12)17-13(19)9(3)15-10(4)18/h5-6,9H,1-4H3,(H,15,18)(H,16,17,19)
InChIKeyNAHGSFVVJGZHAA-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.38
Rot. Bonds3

About 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide

2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 24644803) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID24644803
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(=O)NC(C)C(=O)Nc1nc2c(C)cc(C)cc2s1
InChIInChI=1S/C14H17N3O2S/c1-7-5-8(2)12-11(6-7)20-14(16-12)17-13(19)9(3)15-10(4)18/h5-6,9H,1-4H3,(H,15,18)(H,16,17,19)
InChIKeyNAHGSFVVJGZHAA-UHFFFAOYSA-N
XLogP2.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 51968908
2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 19214343
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315
(2R)-2-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)hexanamide
CID 28662655
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 17334899
(2R)-2-acetamido-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide
CID 92830094
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217
N-(4-amino-6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 3641821
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
CID 4617775
1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
CID 47193596
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 35591150

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide (CID 24644803) is 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide is CC(=O)NC(C)C(=O)Nc1nc2c(C)cc(C)cc2s1.
What is the InChIKey of 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is NAHGSFVVJGZHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-7-5-8(2)12-11(6-7)20-14(16-12)17-13(19)9(3)15-10(4)18/h5-6,9H,1-4H3,(H,15,18)(H,16,17,19).
What are the key properties of 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide?
2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 291.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 24644803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).