(4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

C24H18N2O4S — CID 26663350

IUPAC(4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(-c2nc(C(=O)Oc3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C24H18N2O4S/c1-29-19-11-7-17(8-12-19)23-26-21(15-31-23)24(28)30-20-13-9-18(10-14-20)25-22(27)16-5-3-2-4-6-16/h2-15H,1H3,(H,25,27)
InChIKeyDOIFPHLKJINIPH-UHFFFAOYSA-N
MW430.49 g/mol
LogP5.29
Rot. Bonds6

About (4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

(4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 26663350) has the molecular formula C24H18N2O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is (4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID26663350
Molecular FormulaC24H18N2O4S
Molecular Weight430.49 g/mol
Exact Mass430.10
IUPAC Name(4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(-c2nc(C(=O)Oc3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C24H18N2O4S/c1-29-19-11-7-17(8-12-19)23-26-21(15-31-23)24(28)30-20-13-9-18(10-14-20)25-22(27)16-5-3-2-4-6-16/h2-15H,1H3,(H,25,27)
InChIKeyDOIFPHLKJINIPH-UHFFFAOYSA-N
XLogP5.29
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-methoxybenzoyl)amino]phenyl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 46635839
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 46645446
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46584667
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 9310461
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 18146251
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235
(4-benzamidophenyl) benzoate
CID 569583
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9134946
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805

Frequently Asked Questions

What is the IUPAC name of (4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of (4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (CID 26663350) is (4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is COc1ccc(-c2nc(C(=O)Oc3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1.
What is the InChIKey of (4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is DOIFPHLKJINIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4S/c1-29-19-11-7-17(8-12-19)23-26-21(15-31-23)24(28)30-20-13-9-18(10-14-20)25-22(27)16-5-3-2-4-6-16/h2-15H,1H3,(H,25,27).
What are the key properties of (4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
(4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 430.49 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamidophenyl) 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 26663350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).