N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide

C23H14FN3O3S — CID 41055581

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(c1coc2ccccc2c1=O)N(Cc1ccccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C23H14FN3O3S/c24-17-8-5-10-19-20(17)26-23(31-19)27(12-14-6-3-4-11-25-14)22(29)16-13-30-18-9-2-1-7-15(18)21(16)28/h1-11,13H,12H2
InChIKeyVUGGISPOROXOOU-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.78
Rot. Bonds4

About N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide

N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (PubChem CID 41055581) has the molecular formula C23H14FN3O3S and a molecular weight of 431.45 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
PubChem CID41055581
Molecular FormulaC23H14FN3O3S
Molecular Weight431.45 g/mol
Exact Mass431.07
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
SMILESO=C(c1coc2ccccc2c1=O)N(Cc1ccccn1)c1nc2c(F)cccc2s1
InChIInChI=1S/C23H14FN3O3S/c24-17-8-5-10-19-20(17)26-23(31-19)27(12-14-6-3-4-11-25-14)22(29)16-13-30-18-9-2-1-7-15(18)21(16)28/h1-11,13H,12H2
InChIKeyVUGGISPOROXOOU-UHFFFAOYSA-N
XLogP4.78
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 41055396
2,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986390
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-oxochromene-3-carboxamide
CID 43997008
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 18582045
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide
CID 41056222
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 40519204
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,3-benzothiazole-2-carboxamide
CID 41055560
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41055601
5-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 18582036
3,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43987335
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)naphthalene-2-carboxamide
CID 40699731
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18576575

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (CID 41055581) is N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is O=C(c1coc2ccccc2c1=O)N(Cc1ccccn1)c1nc2c(F)cccc2s1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is VUGGISPOROXOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3O3S/c24-17-8-5-10-19-20(17)26-23(31-19)27(12-14-6-3-4-11-25-14)22(29)16-13-30-18-9-2-1-7-15(18)21(16)28/h1-11,13H,12H2.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide?
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 41055581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).