2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide

C17H18N2O2S2 — CID 24552665

IUPAC2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)COCc1nc2ccccc2s1
InChIInChI=1S/C17H18N2O2S2/c1-12(14-8-5-9-22-14)19(2)17(20)11-21-10-16-18-13-6-3-4-7-15(13)23-16/h3-9,12H,10-11H2,1-2H3
InChIKeyCNDRMHWTWLFFNT-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.09
Rot. Bonds6

About 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide

2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 24552665) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID24552665
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)COCc1nc2ccccc2s1
InChIInChI=1S/C17H18N2O2S2/c1-12(14-8-5-9-22-14)19(2)17(20)11-21-10-16-18-13-6-3-4-7-15(13)23-16/h3-9,12H,10-11H2,1-2H3
InChIKeyCNDRMHWTWLFFNT-UHFFFAOYSA-N
XLogP4.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8865544
1-(1,3-benzothiazol-2-ylmethoxy)propan-2-ol
CID 45077749
3-(1,3-benzothiazol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 134054516
1,3-benzothiazol-2-ylmethyl thiophene-2-carboxylate
CID 1243333
2-(1,3-benzothiazol-2-ylmethoxy)-N-(2-phenylpropyl)acetamide
CID 43012669
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 24552185
2-(1,3-benzothiazol-2-ylmethoxy)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 24641656
[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] (2R)-2-(4-fluorophenoxy)propanoate
CID 8637037
[2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
CID 9417362
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(2-methylphenoxy)acetamide
CID 9415667
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate
CID 9384983

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide (CID 24552665) is 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide is CC(c1cccs1)N(C)C(=O)COCc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is CNDRMHWTWLFFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-12(14-8-5-9-22-14)19(2)17(20)11-21-10-16-18-13-6-3-4-7-15(13)23-16/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide?
2-(1,3-benzothiazol-2-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 346.48 g/mol, XLogP of 4.09, 6 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-ylmethoxy)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 24552665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).