N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide

C19H15FN2O2S2 — CID 55704458

IUPACN-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
SMILESCc1ccc(F)c(NC(=O)COc2cc3sc(C)nc3c3sccc23)c1
InChIInChI=1S/C19H15FN2O2S2/c1-10-3-4-13(20)14(7-10)22-17(23)9-24-15-8-16-18(21-11(2)26-16)19-12(15)5-6-25-19/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyXEOCLRFWVIYPDA-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.28
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide

N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide (PubChem CID 55704458) has the molecular formula C19H15FN2O2S2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
PubChem CID55704458
Molecular FormulaC19H15FN2O2S2
Molecular Weight386.47 g/mol
Exact Mass386.06
IUPAC NameN-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
SMILESCc1ccc(F)c(NC(=O)COc2cc3sc(C)nc3c3sccc23)c1
InChIInChI=1S/C19H15FN2O2S2/c1-10-3-4-13(20)14(7-10)22-17(23)9-24-15-8-16-18(21-11(2)26-16)19-12(15)5-6-25-19/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyXEOCLRFWVIYPDA-UHFFFAOYSA-N
XLogP5.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 55706842
2,4-difluoro-5-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]benzamide
CID 56570758
2-methoxy-N-[3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]phenyl]acetamide
CID 55694116
2-fluoro-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]benzohydrazide
CID 46489302
1-methyl-3-[[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]amino]urea
CID 75479913
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 51173449
5-bromo-N'-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]thiophene-2-carbohydrazide
CID 55694017
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4786981
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[(2S)-oxan-2-yl]oxyacetamide
CID 95143080
N-(2-methoxy-2-phenylethyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 60543734
2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxy-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 55989911
2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide
CID 63576313

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide (CID 55704458) is N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide is Cc1ccc(F)c(NC(=O)COc2cc3sc(C)nc3c3sccc23)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
The InChIKey is XEOCLRFWVIYPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S2/c1-10-3-4-13(20)14(7-10)22-17(23)9-24-15-8-16-18(21-11(2)26-16)19-12(15)5-6-25-19/h3-8H,9H2,1-2H3,(H,22,23).
What are the key properties of N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide?
N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide has a molecular weight of 386.47 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide is sourced from PubChem (CID 55704458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).