N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide

C11H12N2O2S — CID 68765772

IUPACN-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCOCNC(=O)c1ccc2nc(C)sc2c1
InChIInChI=1S/C11H12N2O2S/c1-7-13-9-4-3-8(5-10(9)16-7)11(14)12-6-15-2/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyDKFDKPYGYNHAJR-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.94
Rot. Bonds3

About N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide

N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 68765772) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID68765772
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCOCNC(=O)c1ccc2nc(C)sc2c1
InChIInChI=1S/C11H12N2O2S/c1-7-13-9-4-3-8(5-10(9)16-7)11(14)12-6-15-2/h3-5H,6H2,1-2H3,(H,12,14)
InChIKeyDKFDKPYGYNHAJR-UHFFFAOYSA-N
XLogP1.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
CID 155749287
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 5210335
2-[(2-methyl-1,3-benzothiazole-6-carbonyl)amino]ethanesulfinic acid
CID 145100847
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 28934838
ethyl 3-(2-methyl-1,3-benzothiazol-6-yl)-3-oxopropanoate
CID 11425532
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-sulfonamide
CID 58839440
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-5-carboxamide
CID 27089017
N-[2-fluoro-3-(3-methoxypropoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68987630
N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68988013
3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26693829

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide (CID 68765772) is N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide is COCNC(=O)c1ccc2nc(C)sc2c1.
What is the InChIKey of N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is DKFDKPYGYNHAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-13-9-4-3-8(5-10(9)16-7)11(14)12-6-15-2/h3-5H,6H2,1-2H3,(H,12,14).
What are the key properties of N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide?
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 68765772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).