2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide

C12H15N3O2S — CID 90605517

IUPAC2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CN(C)c1nc2ccccc2s1
InChIInChI=1S/C12H15N3O2S/c1-14(8-11(16)15(2)17-3)12-13-9-6-4-5-7-10(9)18-12/h4-7H,8H2,1-3H3
InChIKeyDGDTUALDZGSMQF-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.75
Rot. Bonds4

About 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide

2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide (PubChem CID 90605517) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
PubChem CID90605517
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CN(C)c1nc2ccccc2s1
InChIInChI=1S/C12H15N3O2S/c1-14(8-11(16)15(2)17-3)12-13-9-6-4-5-7-10(9)18-12/h4-7H,8H2,1-3H3
InChIKeyDGDTUALDZGSMQF-UHFFFAOYSA-N
XLogP1.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-methoxy-N-methylacetamide
CID 90605927
2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 90605326
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide
CID 90605526
methyl N-amino-N-(1,3-benzothiazol-2-yl)carbamate
CID 77174878
N-(4-acetamidophenyl)-2-[1,3-benzothiazol-2-yl(methyl)amino]acetamide
CID 90605410
methyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
CID 62006139
ethyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
CID 62004564
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
CID 90605360
4-[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]piperazine-1-carbaldehyde
CID 90605476
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 90605357
N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 63392267
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-(4-methylsulfonylphenyl)acetamide
CID 71790247

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide (CID 90605517) is 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide is CON(C)C(=O)CN(C)c1nc2ccccc2s1.
What is the InChIKey of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide?
The InChIKey is DGDTUALDZGSMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-14(8-11(16)15(2)17-3)12-13-9-6-4-5-7-10(9)18-12/h4-7H,8H2,1-3H3.
What are the key properties of 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide?
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide has a molecular weight of 265.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 90605517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).