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

C18H18N2O3S — CID 9372481

IUPACN-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1OC
InChIInChI=1S/C18H18N2O3S/c1-20(11-17-19-13-6-4-5-7-16(13)24-17)18(21)12-8-9-14(22-2)15(10-12)23-3/h4-10H,11H2,1-3H3
InChIKeyMRFDKHADOYNGCV-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.59
Rot. Bonds5

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

N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide (PubChem CID 9372481) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
PubChem CID9372481
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1OC
InChIInChI=1S/C18H18N2O3S/c1-20(11-17-19-13-6-4-5-7-16(13)24-17)18(21)12-8-9-14(22-2)15(10-12)23-3/h4-10H,11H2,1-3H3
InChIKeyMRFDKHADOYNGCV-UHFFFAOYSA-N
XLogP3.59
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
CID 18117572
N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide
CID 55389866
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
N-(1,3-benzothiazol-2-ylmethyl)-2-methoxy-N-methyl-5-nitrobenzamide
CID 9393565
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide
CID 9392276
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 60787815
(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(3-ethoxy-4-methoxyphenyl)-N-methylprop-2-enamide
CID 9392392
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(methylsulfanylmethyl)benzamide
CID 9393692
N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-N-methyl-3-nitrobenzamide
CID 9392737
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 26115691
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 9277503
methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-nitrobenzoate
CID 9372535

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide (CID 9372481) is N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1OC.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide?
The InChIKey is MRFDKHADOYNGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-20(11-17-19-13-6-4-5-7-16(13)24-17)18(21)12-8-9-14(22-2)15(10-12)23-3/h4-10H,11H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide has a molecular weight of 342.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 9372481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).