N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide

C17H9FN2O3S — CID 7193218

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1nc2c(F)cccc2s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H9FN2O3S/c18-10-5-3-7-14-15(10)19-17(24-14)20-16(22)13-8-11(21)9-4-1-2-6-12(9)23-13/h1-8H,(H,19,20,22)
InChIKeyFZGCGIPKAFIOPZ-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.79
Rot. Bonds2

About N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 7193218) has the molecular formula C17H9FN2O3S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID7193218
Molecular FormulaC17H9FN2O3S
Molecular Weight340.33 g/mol
Exact Mass340.03
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1nc2c(F)cccc2s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C17H9FN2O3S/c18-10-5-3-7-14-15(10)19-17(24-14)20-16(22)13-8-11(21)9-4-1-2-6-12(9)23-13/h1-8H,(H,19,20,22)
InChIKeyFZGCGIPKAFIOPZ-UHFFFAOYSA-N
XLogP3.79
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide
CID 7105566
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide
CID 3638256
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 3477736
N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835229
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4072632
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 7193259
N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 103789742
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 78778902
1-benzhydryl-3-(4-fluoro-1,3-benzothiazol-2-yl)urea
CID 121082406
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide (CID 7193218) is N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide is O=C(Nc1nc2c(F)cccc2s1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is FZGCGIPKAFIOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9FN2O3S/c18-10-5-3-7-14-15(10)19-17(24-14)20-16(22)13-8-11(21)9-4-1-2-6-12(9)23-13/h1-8H,(H,19,20,22).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 7193218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).