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

C21H14N2O4S — CID 40946611

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)oc12
InChIInChI=1S/C21H14N2O4S/c1-25-16-8-4-6-13-10-18(27-19(13)16)20(24)23-21-22-14(11-28-21)17-9-12-5-2-3-7-15(12)26-17/h2-11H,1H3,(H,22,23,24)
InChIKeyYYFPPEVMBQFOEH-UHFFFAOYSA-N
MW390.42 g/mol
LogP5.56
Rot. Bonds4

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

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 40946611) has the molecular formula C21H14N2O4S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID40946611
Molecular FormulaC21H14N2O4S
Molecular Weight390.42 g/mol
Exact Mass390.07
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)oc12
InChIInChI=1S/C21H14N2O4S/c1-25-16-8-4-6-13-10-18(27-19(13)16)20(24)23-21-22-14(11-28-21)17-9-12-5-2-3-7-15(12)26-17/h2-11H,1H3,(H,22,23,24)
InChIKeyYYFPPEVMBQFOEH-UHFFFAOYSA-N
XLogP5.56
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.42
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 8702490
7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888387
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888356
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2676581
1-(3-chlorophenyl)-3-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]urea
CID 30349488
7-methoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888378
N-[4-(7-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 44916083
4-(1-benzofuran-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 684498
2-(1-benzofuran-2-carbonylamino)-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid
CID 58295563
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-benzoylbenzamide
CID 2322213
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60528485

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (CID 40946611) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)oc12.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is YYFPPEVMBQFOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4S/c1-25-16-8-4-6-13-10-18(27-19(13)16)20(24)23-21-22-14(11-28-21)17-9-12-5-2-3-7-15(12)26-17/h2-11H,1H3,(H,22,23,24).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40946611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).