N-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide

C11H11Cl2N3O2S — CID 134937993

IUPACN-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide
SMILESCOc1c(NC(=O)C(Cl)Cl)cc2sc(N)nc2c1C
InChIInChI=1S/C11H11Cl2N3O2S/c1-4-7-6(19-11(14)16-7)3-5(8(4)18-2)15-10(17)9(12)13/h3,9H,1-2H3,(H2,14,16)(H,15,17)
InChIKeyZEWMRHWMFXHVEG-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.94
Rot. Bonds3

About N-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide

N-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide (PubChem CID 134937993) has the molecular formula C11H11Cl2N3O2S and a molecular weight of 320.20 g/mol. Its IUPAC name is N-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide
PubChem CID134937993
Molecular FormulaC11H11Cl2N3O2S
Molecular Weight320.20 g/mol
Exact Mass318.99
IUPAC NameN-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide
SMILESCOc1c(NC(=O)C(Cl)Cl)cc2sc(N)nc2c1C
InChIInChI=1S/C11H11Cl2N3O2S/c1-4-7-6(19-11(14)16-7)3-5(8(4)18-2)15-10(17)9(12)13/h3,9H,1-2H3,(H2,14,16)(H,15,17)
InChIKeyZEWMRHWMFXHVEG-UHFFFAOYSA-N
XLogP2.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
CID 91680662
(2-amino-4-methyl-1,3-benzothiazol-6-yl) acetate
CID 174710079
1-(2-amino-6-methoxy-1,3-benzothiazol-4-yl)butane-1,3-dione
CID 154235812
3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide
CID 115153528
(2S)-N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 100804759
methyl 2-amino-4-hydroxy-1,3-benzothiazole-6-carboxylate
CID 131616510
2-amino-6-chloro-5-methyl-1,3-benzothiazol-4-ol
CID 138714330
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
CID 91680564
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3,4-dimethoxybenzamide
CID 91680609
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-yloxyacetamide
CID 131932481
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-2-propan-2-ylsulfanylacetamide
CID 131920215
methyl 2-amino-4-(difluoromethoxy)-1,3-benzothiazole-6-carboxylate
CID 134411249

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide?
The IUPAC name of N-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide (CID 134937993) is N-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide.
What is the SMILES notation for N-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide?
The canonical SMILES for N-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide is COc1c(NC(=O)C(Cl)Cl)cc2sc(N)nc2c1C.
What is the InChIKey of N-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide?
The InChIKey is ZEWMRHWMFXHVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2S/c1-4-7-6(19-11(14)16-7)3-5(8(4)18-2)15-10(17)9(12)13/h3,9H,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide?
N-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide has a molecular weight of 320.20 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxy-4-methyl-1,3-benzothiazol-6-yl)-2,2-dichloroacetamide is sourced from PubChem (CID 134937993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).