N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide

C16H14N2O2S2 — CID 7615226

IUPACN-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
SMILESCSc1cccc2sc(NC(=O)COc3ccccc3)nc12
InChIInChI=1S/C16H14N2O2S2/c1-21-12-8-5-9-13-15(12)18-16(22-13)17-14(19)10-20-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyJQJPGOPRMNOKKR-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.04
Rot. Bonds5

About N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide

N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide (PubChem CID 7615226) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
PubChem CID7615226
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
SMILESCSc1cccc2sc(NC(=O)COc3ccccc3)nc12
InChIInChI=1S/C16H14N2O2S2/c1-21-12-8-5-9-13-15(12)18-16(22-13)17-14(19)10-20-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,17,18,19)
InChIKeyJQJPGOPRMNOKKR-UHFFFAOYSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
N-(4-bromo-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7203050
2-(4-methoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 8719256
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
1-(2-methoxyphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081206
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7193216
1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(3-phenylpropyl)urea
CID 121081224
N-(4-bromo-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 43989482
3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938430
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19214376
2-(3,4-dimethylphenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 53269358

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide (CID 7615226) is N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide is CSc1cccc2sc(NC(=O)COc3ccccc3)nc12.
What is the InChIKey of N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide?
The InChIKey is JQJPGOPRMNOKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-21-12-8-5-9-13-15(12)18-16(22-13)17-14(19)10-20-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,17,18,19).
What are the key properties of N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide?
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide has a molecular weight of 330.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-phenoxyacetamide is sourced from PubChem (CID 7615226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).