N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide

C18H11FN2O4S — CID 35999133

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C18H11FN2O4S/c19-11-3-5-13-15(7-11)26-18(20-13)21-16(22)9-24-12-4-1-10-2-6-17(23)25-14(10)8-12/h1-8H,9H2,(H,20,21,22)
InChIKeyAOQOWVIXFOAXJV-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.56
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 35999133) has the molecular formula C18H11FN2O4S and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID35999133
Molecular FormulaC18H11FN2O4S
Molecular Weight370.36 g/mol
Exact Mass370.04
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C18H11FN2O4S/c19-11-3-5-13-15(7-11)26-18(20-13)21-16(22)9-24-12-4-1-10-2-6-17(23)25-14(10)8-12/h1-8H,9H2,(H,20,21,22)
InChIKeyAOQOWVIXFOAXJV-UHFFFAOYSA-N
XLogP3.56
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2519147
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2430791
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 953564
2-(4-benzoylphenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 2550667
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26881258
2-(2-cyanophenoxy)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 7733369
2-(2-oxochromen-7-yl)oxy-N-(2,4,5-trichlorophenyl)acetamide
CID 7233726
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 29412525
N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705048
2-(2-oxochromen-7-yl)oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7233718
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide (CID 35999133) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is AOQOWVIXFOAXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O4S/c19-11-3-5-13-15(7-11)26-18(20-13)21-16(22)9-24-12-4-1-10-2-6-17(23)25-14(10)8-12/h1-8H,9H2,(H,20,21,22).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 370.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 35999133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).