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

C24H17N3O4S — CID 121024370

IUPAC8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccc(-c4nc5cccnc5s4)cc3)c(=O)oc12
InChIInChI=1S/C24H17N3O4S/c1-2-30-19-7-3-5-15-13-17(24(29)31-20(15)19)21(28)26-16-10-8-14(9-11-16)22-27-18-6-4-12-25-23(18)32-22/h3-13H,2H2,1H3,(H,26,28)
InChIKeyIABUWACGQPEKIJ-UHFFFAOYSA-N
MW443.48 g/mol
LogP5.12
Rot. Bonds5

About 8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide

8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide (PubChem CID 121024370) has the molecular formula C24H17N3O4S and a molecular weight of 443.48 g/mol. Its IUPAC name is 8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
PubChem CID121024370
Molecular FormulaC24H17N3O4S
Molecular Weight443.48 g/mol
Exact Mass443.09
IUPAC Name8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)Nc3ccc(-c4nc5cccnc5s4)cc3)c(=O)oc12
InChIInChI=1S/C24H17N3O4S/c1-2-30-19-7-3-5-15-13-17(24(29)31-20(15)19)21(28)26-16-10-8-14(9-11-16)22-27-18-6-4-12-25-23(18)32-22/h3-13H,2H2,1H3,(H,26,28)
InChIKeyIABUWACGQPEKIJ-UHFFFAOYSA-N
XLogP5.12
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.48
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-2-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]chromene-3-carboxamide
CID 27701547
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
6-bromo-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
CID 40998777
N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
CID 3475700
8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
CID 41213186
8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide
CID 90546317
3-acetyl-8-ethoxychromen-2-one
CID 3266617
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888792
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
3,5-dichloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024338
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
N-[4-(1H-benzimidazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888779

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide?
The IUPAC name of 8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide (CID 121024370) is 8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide is CCOc1cccc2cc(C(=O)Nc3ccc(-c4nc5cccnc5s4)cc3)c(=O)oc12.
What is the InChIKey of 8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide?
The InChIKey is IABUWACGQPEKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4S/c1-2-30-19-7-3-5-15-13-17(24(29)31-20(15)19)21(28)26-16-10-8-14(9-11-16)22-27-18-6-4-12-25-23(18)32-22/h3-13H,2H2,1H3,(H,26,28).
What are the key properties of 8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide?
8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide is sourced from PubChem (CID 121024370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).