2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide

C13H17N3O2S — CID 90605526

IUPAC2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide
SMILESCOc1cccc2sc(N(C)CC(=O)N(C)C)nc12
InChIInChI=1S/C13H17N3O2S/c1-15(2)11(17)8-16(3)13-14-12-9(18-4)6-5-7-10(12)19-13/h5-7H,8H2,1-4H3
InChIKeyURSKVPUJNYDTSA-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.83
Rot. Bonds4

About 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide

2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide (PubChem CID 90605526) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide
PubChem CID90605526
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide
SMILESCOc1cccc2sc(N(C)CC(=O)N(C)C)nc12
InChIInChI=1S/C13H17N3O2S/c1-15(2)11(17)8-16(3)13-14-12-9(18-4)6-5-7-10(12)19-13/h5-7H,8H2,1-4H3
InChIKeyURSKVPUJNYDTSA-UHFFFAOYSA-N
XLogP1.83
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(3-methylbutyl)acetamide
CID 90605563
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide
CID 90605583
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 90605614
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 90605660
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90605544
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-methoxy-N-methylacetamide
CID 90605927
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 90605712
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-methoxy-N-methylacetamide
CID 90605517
N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 7512316
N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 56765770
2-[2-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 90605694
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]ethanone
CID 56765768

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide (CID 90605526) is 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide is COc1cccc2sc(N(C)CC(=O)N(C)C)nc12.
What is the InChIKey of 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is URSKVPUJNYDTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-15(2)11(17)8-16(3)13-14-12-9(18-4)6-5-7-10(12)19-13/h5-7H,8H2,1-4H3.
What are the key properties of 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide?
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 279.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 90605526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).