N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide

C20H23N3O2S — CID 86991972

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
SMILESCN(C)CCOc1ccccc1C(=O)N(C)Cc1nc2ccccc2s1
InChIInChI=1S/C20H23N3O2S/c1-22(2)12-13-25-17-10-6-4-8-15(17)20(24)23(3)14-19-21-16-9-5-7-11-18(16)26-19/h4-11H,12-14H2,1-3H3
InChIKeyKUTCCWFCMNIWPM-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.51
Rot. Bonds7

About N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide

N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide (PubChem CID 86991972) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
PubChem CID86991972
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
SMILESCN(C)CCOc1ccccc1C(=O)N(C)Cc1nc2ccccc2s1
InChIInChI=1S/C20H23N3O2S/c1-22(2)12-13-25-17-10-6-4-8-15(17)20(24)23(3)14-19-21-16-9-5-7-11-18(16)26-19/h4-11H,12-14H2,1-3H3
InChIKeyKUTCCWFCMNIWPM-UHFFFAOYSA-N
XLogP3.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-N-methylpyridine-3-carboxamide
CID 103752006
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 18117599
N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 9372481
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-ethylphenoxy)-N-methylacetamide
CID 78810702
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 55143623
N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
CID 18117572
N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
CID 16606856
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 60787815
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide
CID 41440557
N-(1,3-benzothiazol-2-ylmethyl)-2-methoxy-N-methyl-5-nitrobenzamide
CID 9393565
1,3-benzothiazol-2-ylmethyl 2-(2-methoxyethoxy)benzoate
CID 60564577

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide (CID 86991972) is N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide is CN(C)CCOc1ccccc1C(=O)N(C)Cc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide?
The InChIKey is KUTCCWFCMNIWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-22(2)12-13-25-17-10-6-4-8-15(17)20(24)23(3)14-19-21-16-9-5-7-11-18(16)26-19/h4-11H,12-14H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide has a molecular weight of 369.49 g/mol, XLogP of 3.51, 7 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)-2-[2-(dimethylamino)ethoxy]-N-methylbenzamide is sourced from PubChem (CID 86991972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).