6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide

C22H12BrN3O3S — CID 40998777

IUPAC6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C22H12BrN3O3S/c23-14-5-8-18-13(10-14)11-16(22(28)29-18)19(27)25-15-6-3-12(4-7-15)20-26-17-2-1-9-24-21(17)30-20/h1-11H,(H,25,27)
InChIKeyVFQHASXHVMTHTJ-UHFFFAOYSA-N
MW478.33 g/mol
LogP5.48
Rot. Bonds3

About 6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide

6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide (PubChem CID 40998777) has the molecular formula C22H12BrN3O3S and a molecular weight of 478.33 g/mol. Its IUPAC name is 6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
PubChem CID40998777
Molecular FormulaC22H12BrN3O3S
Molecular Weight478.33 g/mol
Exact Mass476.98
IUPAC Name6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cc2cc(Br)ccc2oc1=O
InChIInChI=1S/C22H12BrN3O3S/c23-14-5-8-18-13(10-14)11-16(22(28)29-18)19(27)25-15-6-3-12(4-7-15)20-26-17-2-1-9-24-21(17)30-20/h1-11H,(H,25,27)
InChIKeyVFQHASXHVMTHTJ-UHFFFAOYSA-N
XLogP5.48
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.33
LogP ≤ 55.48
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

8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
CID 121024370
6-bromo-N-(4-bromophenyl)-2-oxochromene-3-carboxamide
CID 1111853
6-bromo-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 121024443
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 121024375
3,5-dichloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024338
6-bromo-N-(4-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1363456
2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141317
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121024374
5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide
CID 121024439
8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide
CID 27701547
6-bromo-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-oxochromene-3-carboxamide
CID 16872825

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide?
The IUPAC name of 6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide (CID 40998777) is 6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide is O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cc2cc(Br)ccc2oc1=O.
What is the InChIKey of 6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide?
The InChIKey is VFQHASXHVMTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12BrN3O3S/c23-14-5-8-18-13(10-14)11-16(22(28)29-18)19(27)25-15-6-3-12(4-7-15)20-26-17-2-1-9-24-21(17)30-20/h1-11H,(H,25,27).
What are the key properties of 6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide?
6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide has a molecular weight of 478.33 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide is sourced from PubChem (CID 40998777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).