2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide

C23H16N2O3S — CID 46846514

IUPAC2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccccc3)cs2)c2c1oc1ccccc12
InChIInChI=1S/C23H16N2O3S/c1-27-19-12-11-16(20-15-9-5-6-10-18(15)28-21(19)20)23-25-17(13-29-23)22(26)24-14-7-3-2-4-8-14/h2-13H,1H3,(H,24,26)
InChIKeyRCQYEZLPKMSQHP-UHFFFAOYSA-N
MW400.46 g/mol
LogP5.97
Rot. Bonds4

About 2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide

2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 46846514) has the molecular formula C23H16N2O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID46846514
Molecular FormulaC23H16N2O3S
Molecular Weight400.46 g/mol
Exact Mass400.09
IUPAC Name2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)Nc3ccccc3)cs2)c2c1oc1ccccc12
InChIInChI=1S/C23H16N2O3S/c1-27-19-12-11-16(20-15-9-5-6-10-18(15)28-21(19)20)23-25-17(13-29-23)22(26)24-14-7-3-2-4-8-14/h2-13H,1H3,(H,24,26)
InChIKeyRCQYEZLPKMSQHP-UHFFFAOYSA-N
XLogP5.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide (CID 46846514) is 2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)Nc3ccccc3)cs2)c2c1oc1ccccc12.
What is the InChIKey of 2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is RCQYEZLPKMSQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3S/c1-27-19-12-11-16(20-15-9-5-6-10-18(15)28-21(19)20)23-25-17(13-29-23)22(26)24-14-7-3-2-4-8-14/h2-13H,1H3,(H,24,26).
What are the key properties of 2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide?
2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxydibenzofuran-1-yl)-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46846514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).