4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide

C24H16N2O3S — CID 4557200

IUPAC4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H16N2O3S/c27-22(15-6-2-1-3-7-15)16-10-12-17(13-11-16)23(28)26-24-25-21-18-8-4-5-9-19(18)29-14-20(21)30-24/h1-13H,14H2,(H,25,26,28)
InChIKeyXXZFENMHAQJROI-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.19
Rot. Bonds4

About 4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide

4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide (PubChem CID 4557200) has the molecular formula C24H16N2O3S and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide
PubChem CID4557200
Molecular FormulaC24H16N2O3S
Molecular Weight412.47 g/mol
Exact Mass412.09
IUPAC Name4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H16N2O3S/c27-22(15-6-2-1-3-7-15)16-10-12-17(13-11-16)23(28)26-24-25-21-18-8-4-5-9-19(18)29-14-20(21)30-24/h1-13H,14H2,(H,25,26,28)
InChIKeyXXZFENMHAQJROI-UHFFFAOYSA-N
XLogP5.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide
CID 4583151
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide
CID 4533660
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4050137
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
CID 4115235
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide
CID 4190684
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 45284124
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 4844976
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 16822805
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849395
[4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid
CID 87833982
1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16861664
N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-4-[4-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylcarbamoyl)phenoxy]benzamide
CID 5154304

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide (CID 4557200) is 4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide is O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The InChIKey is XXZFENMHAQJROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O3S/c27-22(15-6-2-1-3-7-15)16-10-12-17(13-11-16)23(28)26-24-25-21-18-8-4-5-9-19(18)29-14-20(21)30-24/h1-13H,14H2,(H,25,26,28).
What are the key properties of 4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide has a molecular weight of 412.47 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 4557200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).