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

C21H18N2O3S — CID 9100665

IUPACN-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCOCCc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cc1
InChIInChI=1S/C21H18N2O3S/c1-25-11-10-14-6-8-15(9-7-14)17-13-27-21(22-17)23-20(24)19-12-16-4-2-3-5-18(16)26-19/h2-9,12-13H,10-11H2,1H3,(H,22,23,24)
InChIKeyUNRXUQBLPCWAPB-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.00
Rot. Bonds6

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

N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 9100665) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID9100665
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCOCCc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cc1
InChIInChI=1S/C21H18N2O3S/c1-25-11-10-14-6-8-15(9-7-14)17-13-27-21(22-17)23-20(24)19-12-16-4-2-3-5-18(16)26-19/h2-9,12-13H,10-11H2,1H3,(H,22,23,24)
InChIKeyUNRXUQBLPCWAPB-UHFFFAOYSA-N
XLogP5.00
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 55.00
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-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718079
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
CID 9117772
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 17405575
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 46629048
3-fluoro-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 9100757
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2676581
7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888387
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40946611
ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 2308234
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 51263111

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (CID 9100665) is N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is COCCc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cc1.
What is the InChIKey of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is UNRXUQBLPCWAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-25-11-10-14-6-8-15(9-7-14)17-13-27-21(22-17)23-20(24)19-12-16-4-2-3-5-18(16)26-19/h2-9,12-13H,10-11H2,1H3,(H,22,23,24).
What are the key properties of N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9100665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).