N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide

C21H18N2O5S — CID 35523457

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cccc(OCc2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)o2)c1
InChIInChI=1S/C21H18N2O5S/c1-25-13-4-3-5-15(10-13)27-12-16-7-9-18(28-16)20(24)23-21-22-17-8-6-14(26-2)11-19(17)29-21/h3-11H,12H2,1-2H3,(H,22,23,24)
InChIKeyXZJAZLWWEFYQFA-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.74
Rot. Bonds7

About N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 35523457) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID35523457
Molecular FormulaC21H18N2O5S
Molecular Weight410.45 g/mol
Exact Mass410.09
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cccc(OCc2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)o2)c1
InChIInChI=1S/C21H18N2O5S/c1-25-13-4-3-5-15(10-13)27-12-16-7-9-18(28-16)20(24)23-21-22-17-8-6-14(26-2)11-19(17)29-21/h3-11H,12H2,1-2H3,(H,22,23,24)
InChIKeyXZJAZLWWEFYQFA-UHFFFAOYSA-N
XLogP4.74
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-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-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19412762
N-(6-bromo-1,3-benzothiazol-2-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 34852399
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19446714
5-[(4-tert-butylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 19452541
5-[(4-acetylphenoxy)methyl]-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 19455335
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702338
5-(1,3-benzodioxol-5-yloxymethyl)-N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 4775452
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461707
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461491
7-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888287
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
5-(2,3-dichlorophenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 1395435

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide (CID 35523457) is N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide is COc1cccc(OCc2ccc(C(=O)Nc3nc4ccc(OC)cc4s3)o2)c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is XZJAZLWWEFYQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S/c1-25-13-4-3-5-15(10-13)27-12-16-7-9-18(28-16)20(24)23-21-22-17-8-6-14(26-2)11-19(17)29-21/h3-11H,12H2,1-2H3,(H,22,23,24).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 35523457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).