7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

C25H18N2O3S — CID 40888387

IUPAC7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)oc12
InChIInChI=1S/C25H18N2O3S/c1-29-21-9-5-8-19-14-22(30-23(19)21)24(28)27-25-26-20(15-31-25)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-15H,1H3,(H,26,27,28)
InChIKeyLKZGWYANJQIDDS-UHFFFAOYSA-N
MW426.50 g/mol
LogP6.48
Rot. Bonds5

About 7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 40888387) has the molecular formula C25H18N2O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID40888387
Molecular FormulaC25H18N2O3S
Molecular Weight426.50 g/mol
Exact Mass426.10
IUPAC Name7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)oc12
InChIInChI=1S/C25H18N2O3S/c1-29-21-9-5-8-19-14-22(30-23(19)21)24(28)27-25-26-20(15-31-25)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-15H,1H3,(H,26,27,28)
InChIKeyLKZGWYANJQIDDS-UHFFFAOYSA-N
XLogP6.48
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888356
7-methoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888378
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40946611
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888822
7-ethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888778
8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide
CID 3993915
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718079
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4061506
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (CID 40888387) is 7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3nc(-c4ccc(-c5ccccc5)cc4)cs3)oc12.
What is the InChIKey of 7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is LKZGWYANJQIDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3S/c1-29-21-9-5-8-19-14-22(30-23(19)21)24(28)27-25-26-20(15-31-25)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-15H,1H3,(H,26,27,28).
What are the key properties of 7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40888387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).