N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide

C12H14N2O2S — CID 99833360

IUPACN-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc2sncc2c1
InChIInChI=1S/C12H14N2O2S/c1-12(2,16-3)11(15)14-9-4-5-10-8(6-9)7-13-17-10/h4-7H,1-3H3,(H,14,15)
InChIKeyVJPCAUMDYTUZOV-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.66
Rot. Bonds3

About N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide

N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide (PubChem CID 99833360) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide
PubChem CID99833360
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc2sncc2c1
InChIInChI=1S/C12H14N2O2S/c1-12(2,16-3)11(15)14-9-4-5-10-8(6-9)7-13-17-10/h4-7H,1-3H3,(H,14,15)
InChIKeyVJPCAUMDYTUZOV-UHFFFAOYSA-N
XLogP2.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide
CID 99823346
(E)-N-(1,2-benzothiazol-5-yl)-2-methylbut-2-enamide
CID 129401437
N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide
CID 99830867
N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide
CID 99825276
N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide
CID 103017832
N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide
CID 99825241
N-(1,2-benzothiazol-5-yl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 100794232
2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 122109787
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232
2-methoxy-2-methyl-N-thiophen-3-ylpropanamide
CID 103678845
2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 113424569
2-amino-N-(1,2-benzothiazol-5-yl)-5-nitrobenzamide
CID 99830885

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide (CID 99833360) is N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1ccc2sncc2c1.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is VJPCAUMDYTUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-12(2,16-3)11(15)14-9-4-5-10-8(6-9)7-13-17-10/h4-7H,1-3H3,(H,14,15).
What are the key properties of N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide?
N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 250.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-5-yl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 99833360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).