3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide

C23H14N2O3S — CID 3953765

IUPAC3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C23H14N2O3S/c26-21(25-23-24-19(13-29-23)15-7-2-1-3-8-15)18-12-17-16-9-5-4-6-14(16)10-11-20(17)28-22(18)27/h1-13H,(H,24,25,26)
InChIKeyVXBDYEYDHHBPKT-UHFFFAOYSA-N
MW398.44 g/mol
LogP5.32
Rot. Bonds3

About 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide

3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide (PubChem CID 3953765) has the molecular formula C23H14N2O3S and a molecular weight of 398.44 g/mol. Its IUPAC name is 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide
PubChem CID3953765
Molecular FormulaC23H14N2O3S
Molecular Weight398.44 g/mol
Exact Mass398.07
IUPAC Name3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C23H14N2O3S/c26-21(25-23-24-19(13-29-23)15-7-2-1-3-8-15)18-12-17-16-9-5-4-6-14(16)10-11-20(17)28-22(18)27/h1-13H,(H,24,25,26)
InChIKeyVXBDYEYDHHBPKT-UHFFFAOYSA-N
XLogP5.32
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-(2-sulfanylphenyl)benzo[f]chromene-2-carboxamide
CID 878985
3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide
CID 2266147
ethyl 2-[(3-oxobenzo[f]chromene-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate
CID 19132762
7,7-dimethyl-2,5-dioxo-N-(4-phenyl-1,3-thiazol-2-yl)-6,8-dihydrochromene-3-carboxamide
CID 139217078
N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 19154798
N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3692477
ethyl 5-methyl-2-[(3-oxobenzo[f]chromene-2-carbonyl)amino]-4-phenylthiophene-3-carboxylate
CID 19132763
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 16917380
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide
CID 23822903
N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5066416
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide?
The IUPAC name of 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide (CID 3953765) is 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide.
What is the SMILES notation for 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide?
The canonical SMILES for 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1cc2c(ccc3ccccc32)oc1=O.
What is the InChIKey of 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide?
The InChIKey is VXBDYEYDHHBPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2O3S/c26-21(25-23-24-19(13-29-23)15-7-2-1-3-8-15)18-12-17-16-9-5-4-6-14(16)10-11-20(17)28-22(18)27/h1-13H,(H,24,25,26).
What are the key properties of 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide?
3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide is sourced from PubChem (CID 3953765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).