2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide

C13H16N2O2S — CID 22577330

IUPAC2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
SMILESCn1c(=O)sc2cc(NC(=O)C(C)(C)C)ccc21
InChIInChI=1S/C13H16N2O2S/c1-13(2,3)11(16)14-8-5-6-9-10(7-8)18-12(17)15(9)4/h5-7H,1-4H3,(H,14,16)
InChIKeyKUEOZBBRJWDJCL-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.58
Rot. Bonds1

About 2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide

2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide (PubChem CID 22577330) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
PubChem CID22577330
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
SMILESCn1c(=O)sc2cc(NC(=O)C(C)(C)C)ccc21
InChIInChI=1S/C13H16N2O2S/c1-13(2,3)11(16)14-8-5-6-9-10(7-8)18-12(17)15(9)4/h5-7H,1-4H3,(H,14,16)
InChIKeyKUEOZBBRJWDJCL-UHFFFAOYSA-N
XLogP2.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 22577324
1-(2-methoxyphenyl)-3-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)urea
CID 100536950
methyl 5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)amino]-5-oxopentanoate
CID 22577323
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 46352398
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 100525689
(2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 100526061
2-ethylsulfanyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100533533
4-[methyl(methylsulfonyl)amino]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)benzamide
CID 100528512
(2R)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-naphthalen-2-yloxypropanamide
CID 100531474
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100531465
(2S)-2-(3-chlorophenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide
CID 100532433
N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 22434240

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide (CID 22577330) is 2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide is Cn1c(=O)sc2cc(NC(=O)C(C)(C)C)ccc21.
What is the InChIKey of 2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is KUEOZBBRJWDJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-13(2,3)11(16)14-8-5-6-9-10(7-8)18-12(17)15(9)4/h5-7H,1-4H3,(H,14,16).
What are the key properties of 2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide?
2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 264.35 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 22577330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).