8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide

C23H20N2O4S — CID 90546317

IUPAC8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCc3sc(-c4ccccc4)nc3C)c(=O)oc12
InChIInChI=1S/C23H20N2O4S/c1-3-28-18-11-7-10-16-12-17(23(27)29-20(16)18)21(26)24-13-19-14(2)25-22(30-19)15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3,(H,24,26)
InChIKeyQGDFHNQHWBNCRJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.55
Rot. Bonds6

About 8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide

8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide (PubChem CID 90546317) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide
PubChem CID90546317
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCc3sc(-c4ccccc4)nc3C)c(=O)oc12
InChIInChI=1S/C23H20N2O4S/c1-3-28-18-11-7-10-16-12-17(23(27)29-20(16)18)21(26)24-13-19-14(2)25-22(30-19)15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3,(H,24,26)
InChIKeyQGDFHNQHWBNCRJ-UHFFFAOYSA-N
XLogP4.55
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.55
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-phenylchromene-3-carboxamide
CID 4523886
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18282452
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
8-ethoxy-2-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]chromene-3-carboxamide
CID 121024370
N-(1,3-benzothiazol-2-yl)-8-ethoxy-2-oxochromene-3-carboxamide
CID 3475700
8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121058919
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
3-acetyl-8-ethoxychromen-2-one
CID 3266617
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546485
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546349

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide (CID 90546317) is 8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide is CCOc1cccc2cc(C(=O)NCc3sc(-c4ccccc4)nc3C)c(=O)oc12.
What is the InChIKey of 8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide?
The InChIKey is QGDFHNQHWBNCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-3-28-18-11-7-10-16-12-17(23(27)29-20(16)18)21(26)24-13-19-14(2)25-22(30-19)15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3,(H,24,26).
What are the key properties of 8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide?
8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 90546317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).