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

C23H16N2O2S — CID 4583151

IUPACN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16N2O2S/c26-22(17-12-10-16(11-13-17)15-6-2-1-3-7-15)25-23-24-21-18-8-4-5-9-19(18)27-14-20(21)28-23/h1-13H,14H2,(H,24,25,26)
InChIKeyDQFPEJRWEGWTKX-UHFFFAOYSA-N
MW384.46 g/mol
LogP5.62
Rot. Bonds3

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

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide (PubChem CID 4583151) has the molecular formula C23H16N2O2S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide
PubChem CID4583151
Molecular FormulaC23H16N2O2S
Molecular Weight384.46 g/mol
Exact Mass384.09
IUPAC NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H16N2O2S/c26-22(17-12-10-16(11-13-17)15-6-2-1-3-7-15)25-23-24-21-18-8-4-5-9-19(18)27-14-20(21)28-23/h1-13H,14H2,(H,24,25,26)
InChIKeyDQFPEJRWEGWTKX-UHFFFAOYSA-N
XLogP5.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4557200
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)-2-naphthalen-2-ylacetamide
CID 16849395
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 16822805
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 7920283
1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16861664

Frequently Asked Questions

What is the IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide?
The IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide (CID 4583151) is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide?
The canonical SMILES for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide is O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide?
The InChIKey is DQFPEJRWEGWTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2S/c26-22(17-12-10-16(11-13-17)15-6-2-1-3-7-15)25-23-24-21-18-8-4-5-9-19(18)27-14-20(21)28-23/h1-13H,14H2,(H,24,25,26).
What are the key properties of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide?
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide has a molecular weight of 384.46 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide is sourced from PubChem (CID 4583151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).