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

C24H18N2O3S — CID 3977793

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C24H18N2O3S/c1-29-19-14-12-18(13-15-19)23(28)26-24-25-20(16-8-4-2-5-9-16)22(30-24)21(27)17-10-6-3-7-11-17/h2-15H,1H3,(H,25,26,28)
InChIKeyGWTAISADZNYBMN-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.30
Rot. Bonds6

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

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide (PubChem CID 3977793) has the molecular formula C24H18N2O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide
PubChem CID3977793
Molecular FormulaC24H18N2O3S
Molecular Weight414.49 g/mol
Exact Mass414.10
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
InChIInChI=1S/C24H18N2O3S/c1-29-19-14-12-18(13-15-19)23(28)26-24-25-20(16-8-4-2-5-9-16)22(30-24)21(27)17-10-6-3-7-11-17/h2-15H,1H3,(H,25,26,28)
InChIKeyGWTAISADZNYBMN-UHFFFAOYSA-N
XLogP5.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide (CID 3977793) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide?
The InChIKey is GWTAISADZNYBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3S/c1-29-19-14-12-18(13-15-19)23(28)26-24-25-20(16-8-4-2-5-9-16)22(30-24)21(27)17-10-6-3-7-11-17/h2-15H,1H3,(H,25,26,28).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide has a molecular weight of 414.49 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 3977793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).