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

C24H15FN2O3S — CID 41109920

IUPACN-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESO=C(c1cc(=O)c2ccccc2o1)N(Cc1ccccc1)c1nc2c(F)cccc2s1
InChIInChI=1S/C24H15FN2O3S/c25-17-10-6-12-21-22(17)26-24(31-21)27(14-15-7-2-1-3-8-15)23(29)20-13-18(28)16-9-4-5-11-19(16)30-20/h1-13H,14H2
InChIKeyDNQYJPJYAMRYBX-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.39
Rot. Bonds4

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

N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 41109920) has the molecular formula C24H15FN2O3S and a molecular weight of 430.46 g/mol. Its IUPAC name is N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID41109920
Molecular FormulaC24H15FN2O3S
Molecular Weight430.46 g/mol
Exact Mass430.08
IUPAC NameN-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESO=C(c1cc(=O)c2ccccc2o1)N(Cc1ccccc1)c1nc2c(F)cccc2s1
InChIInChI=1S/C24H15FN2O3S/c25-17-10-6-12-21-22(17)26-24(31-21)27(14-15-7-2-1-3-8-15)23(29)20-13-18(28)16-9-4-5-11-19(16)30-20/h1-13H,14H2
InChIKeyDNQYJPJYAMRYBX-UHFFFAOYSA-N
XLogP5.39
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 41115967
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 41110086
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 41109949
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-3-ylmethyl)chromene-2-carboxamide
CID 40996261
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 7193218
N'-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carbohydrazide
CID 7105566
N-(6-bromo-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-3-ylmethyl)chromene-2-carboxamide
CID 16821576
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 8670812
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990111
N-benzyl-3-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41109971
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
CID 41109923
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8718515

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide (CID 41109920) is N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide is O=C(c1cc(=O)c2ccccc2o1)N(Cc1ccccc1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is DNQYJPJYAMRYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2O3S/c25-17-10-6-12-21-22(17)26-24(31-21)27(14-15-7-2-1-3-8-15)23(29)20-13-18(28)16-9-4-5-11-19(16)30-20/h1-13H,14H2.
What are the key properties of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide?
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 41109920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).