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

C21H18N2O3S — CID 55490227

IUPACN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H18N2O3S/c1-13-7-9-17(25-2)15(11-13)20(24)22-12-14-8-10-18(26-14)21-23-16-5-3-4-6-19(16)27-21/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyXWAQPSMEIDQLDF-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.80
Rot. Bonds5

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

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide (PubChem CID 55490227) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide
PubChem CID55490227
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H18N2O3S/c1-13-7-9-17(25-2)15(11-13)20(24)22-12-14-8-10-18(26-14)21-23-16-5-3-4-6-19(16)27-21/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyXWAQPSMEIDQLDF-UHFFFAOYSA-N
XLogP4.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55485370
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
CID 55489899
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
4-(2-amino-2-oxoethoxy)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-chloro-5-methoxybenzamide
CID 24597383
5-(1,3-benzothiazol-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 9083262
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46455718
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 18274142
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110941174
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 24586235
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892932
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46455964

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide (CID 55490227) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide?
The InChIKey is XWAQPSMEIDQLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-13-7-9-17(25-2)15(11-13)20(24)22-12-14-8-10-18(26-14)21-23-16-5-3-4-6-19(16)27-21/h3-11H,12H2,1-2H3,(H,22,24).
What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide?
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide has a molecular weight of 378.45 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 55490227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).