3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one

C20H12N2O4S — CID 3776365

IUPAC3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one
SMILESO=C1OC(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c2ccccc21
InChIInChI=1S/C20H12N2O4S/c23-18-13-7-3-2-6-12(13)17(26-18)22-20-21-15(10-27-20)14-9-11-5-1-4-8-16(11)25-19(14)24/h1-10,17H,(H,21,22)
InChIKeyFMWADKRWESZYGC-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.20
Rot. Bonds3

About 3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one

3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one (PubChem CID 3776365) has the molecular formula C20H12N2O4S and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one.

Molecular Properties

Compound Name3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one
PubChem CID3776365
Molecular FormulaC20H12N2O4S
Molecular Weight376.39 g/mol
Exact Mass376.05
IUPAC Name3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one
SMILESO=C1OC(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c2ccccc21
InChIInChI=1S/C20H12N2O4S/c23-18-13-7-3-2-6-12(13)17(26-18)22-20-21-15(10-27-20)14-9-11-5-1-4-8-16(11)25-19(14)24/h1-10,17H,(H,21,22)
InChIKeyFMWADKRWESZYGC-UHFFFAOYSA-N
XLogP4.20
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.20
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

(3S)-3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
CID 710090
3-[2-(benzylamino)-1,3-thiazol-4-yl]chromen-2-one
CID 3612453
3-[2-(2-benzhydrylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
CID 4006186
(E)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 6173167
3-[2-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
CID 2851169
3-[2-(methylideneamino)-1,3-thiazol-4-yl]chromen-2-one
CID 71419333
3-[2-[(2E)-2-(3-methylbutan-2-ylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 50900301
3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]chromen-2-one
CID 886838
3-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 3792994
1-(3-chlorophenyl)-3-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]urea
CID 5146841
3-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 15263193
3-[2-[(2Z)-2-[[(1S)-cyclohex-3-en-1-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 7365363

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one?
The IUPAC name of 3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one (CID 3776365) is 3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one.
What is the SMILES notation for 3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one?
The canonical SMILES for 3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one is O=C1OC(Nc2nc(-c3cc4ccccc4oc3=O)cs2)c2ccccc21.
What is the InChIKey of 3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one?
The InChIKey is FMWADKRWESZYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O4S/c23-18-13-7-3-2-6-12(13)17(26-18)22-20-21-15(10-27-20)14-9-11-5-1-4-8-16(11)25-19(14)24/h1-10,17H,(H,21,22).
What are the key properties of 3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one?
3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one has a molecular weight of 376.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-thiazol-4-yl]chromen-2-one is sourced from PubChem (CID 3776365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).