2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide

C17H16N2O2S2 — CID 13101352

IUPAC2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(N(C)C(=O)COc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H16N2O2S2/c1-19(12-7-9-13(22-2)10-8-12)16(20)11-21-17-18-14-5-3-4-6-15(14)23-17/h3-10H,11H2,1-2H3
InChIKeyQNMPDCAOLDLGKO-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.06
Rot. Bonds5

About 2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide

2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 13101352) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide
PubChem CID13101352
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(N(C)C(=O)COc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H16N2O2S2/c1-19(12-7-9-13(22-2)10-8-12)16(20)11-21-17-18-14-5-3-4-6-15(14)23-17/h3-10H,11H2,1-2H3
InChIKeyQNMPDCAOLDLGKO-UHFFFAOYSA-N
XLogP4.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzothiazol-2-yloxy)-N-methyl-N-phenylbutanamide
CID 163940335
2-(1,3-benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 139069972
2-(1,3-benzothiazol-2-yloxy)-N-nitro-N-phenylacetamide
CID 141365851
1-(1,3-benzothiazol-2-yloxy)-3-hydroxybutan-2-one
CID 70512470
2-(1,3-benzothiazol-2-yloxy)acetic acid;N-methylaniline
CID 70566955
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-methylsulfanylbenzamide;hydrochloride
CID 44927848
4-(N-methyl-4-methylsulfanylanilino)-4-oxobutanoic acid
CID 54320412
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-methyl-N-phenylacetamide
CID 31528997
N-(1,3-benzothiazol-2-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 42962067
N-(1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)sulfanyl-N-methylacetamide
CID 34256508
2-methylsulfanyloxy-1,3-benzothiazole
CID 175220247
dimethyl-[2-[(6-methylsulfanyl-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl]azanium
CID 8702874

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide (CID 13101352) is 2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(N(C)C(=O)COc2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is QNMPDCAOLDLGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-19(12-7-9-13(22-2)10-8-12)16(20)11-21-17-18-14-5-3-4-6-15(14)23-17/h3-10H,11H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide?
2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 344.46 g/mol, XLogP of 4.06, 5 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-yloxy)-N-methyl-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 13101352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).