N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide

C18H18N2O3S — CID 38283922

IUPACN-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3s2)cc(OC)c1C
InChIInChI=1S/C18H18N2O3S/c1-11-14(22-2)8-12(9-15(11)23-3)18(21)19-10-17-20-13-6-4-5-7-16(13)24-17/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyWNWRGUPFBBCQEH-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.55
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide

N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide (PubChem CID 38283922) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
PubChem CID38283922
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3s2)cc(OC)c1C
InChIInChI=1S/C18H18N2O3S/c1-11-14(22-2)8-12(9-15(11)23-3)18(21)19-10-17-20-13-6-4-5-7-16(13)24-17/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyWNWRGUPFBBCQEH-UHFFFAOYSA-N
XLogP3.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 38283893
N-(1,3-benzothiazol-2-ylmethyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 18110845
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
1-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38167322
N-(1,3-benzothiazol-2-ylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 31101472
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
CID 31100874
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide
CID 24543302
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 18110635
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
N-(1,3-benzothiazol-2-ylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55338840

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide (CID 38283922) is N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NCc2nc3ccccc3s2)cc(OC)c1C.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is WNWRGUPFBBCQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-14(22-2)8-12(9-15(11)23-3)18(21)19-10-17-20-13-6-4-5-7-16(13)24-17/h4-9H,10H2,1-3H3,(H,19,21).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 342.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 38283922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).