N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

C24H16N2O3S — CID 8718079

IUPACN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cc2ccccc2o1
InChIInChI=1S/C24H16N2O3S/c27-23(22-14-17-6-4-5-9-21(17)29-22)26-24-25-20(15-30-24)16-10-12-19(13-11-16)28-18-7-2-1-3-8-18/h1-15H,(H,25,26,27)
InChIKeyDXQSZIJEMBEFHB-UHFFFAOYSA-N
MW412.47 g/mol
LogP6.60
Rot. Bonds5

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

N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 8718079) has the molecular formula C24H16N2O3S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID8718079
Molecular FormulaC24H16N2O3S
Molecular Weight412.47 g/mol
Exact Mass412.09
IUPAC NameN-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cc2ccccc2o1
InChIInChI=1S/C24H16N2O3S/c27-23(22-14-17-6-4-5-9-21(17)29-22)26-24-25-20(15-30-24)16-10-12-19(13-11-16)28-18-7-2-1-3-8-18/h1-15H,(H,25,26,27)
InChIKeyDXQSZIJEMBEFHB-UHFFFAOYSA-N
XLogP6.60
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2715669
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]naphthalene-2-carboxamide
CID 4111369
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 46629048
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2676581
N-(2-phenoxyphenyl)-1-benzofuran-2-carboxamide
CID 2497370
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718110
2-methoxy-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4530772
7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888387
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718070

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (CID 8718079) is N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is DXQSZIJEMBEFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O3S/c27-23(22-14-17-6-4-5-9-21(17)29-22)26-24-25-20(15-30-24)16-10-12-19(13-11-16)28-18-7-2-1-3-8-18/h1-15H,(H,25,26,27).
What are the key properties of N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8718079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).