N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide

C26H16N2O4S — CID 4072632

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C26H16N2O4S/c29-19-15-21(32-20-14-8-7-13-18(19)20)25(31)28-26-27-22(16-9-3-1-4-10-16)24(33-26)23(30)17-11-5-2-6-12-17/h1-15H,(H,27,28,31)
InChIKeyQDRTVCPQXLWYJL-UHFFFAOYSA-N
MW452.49 g/mol
LogP5.40
Rot. Bonds5

About N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 4072632) has the molecular formula C26H16N2O4S and a molecular weight of 452.49 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
PubChem CID4072632
Molecular FormulaC26H16N2O4S
Molecular Weight452.49 g/mol
Exact Mass452.08
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C26H16N2O4S/c29-19-15-21(32-20-14-8-7-13-18(19)20)25(31)28-26-27-22(16-9-3-1-4-10-16)24(33-26)23(30)17-11-5-2-6-12-17/h1-15H,(H,27,28,31)
InChIKeyQDRTVCPQXLWYJL-UHFFFAOYSA-N
XLogP5.40
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide
CID 3638256
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 4609567
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055
N-(4-fluoro-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 7193218
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 5203607
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 3477736
N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835229
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide
CID 43980889
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118
2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121091

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide (CID 4072632) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide is O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is QDRTVCPQXLWYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O4S/c29-19-15-21(32-20-14-8-7-13-18(19)20)25(31)28-26-27-22(16-9-3-1-4-10-16)24(33-26)23(30)17-11-5-2-6-12-17/h1-15H,(H,27,28,31).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4072632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).