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

C20H23N3OS — CID 55389866

IUPACN-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide
SMILESCCN(CC)c1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1
InChIInChI=1S/C20H23N3OS/c1-4-23(5-2)16-12-10-15(11-13-16)20(24)22(3)14-19-21-17-8-6-7-9-18(17)25-19/h6-13H,4-5,14H2,1-3H3
InChIKeyPXSBUEMNHHDPPK-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.41
Rot. Bonds6

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

N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide (PubChem CID 55389866) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide
PubChem CID55389866
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide
SMILESCCN(CC)c1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1
InChIInChI=1S/C20H23N3OS/c1-4-23(5-2)16-12-10-15(11-13-16)20(24)22(3)14-19-21-17-8-6-7-9-18(17)25-19/h6-13H,4-5,14H2,1-3H3
InChIKeyPXSBUEMNHHDPPK-UHFFFAOYSA-N
XLogP4.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-4-benzoyl-N-methylbenzamide
CID 18117572
N-(1,3-benzothiazol-2-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 9372481
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide
CID 9392276
N-(1,3-benzothiazol-2-ylmethyl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 46787802
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)-N-methyl-4-(phenylsulfamoyl)benzamide
CID 26419057
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-ylmethyl)-4-ethyl-N,5-dimethylthiophene-2-carboxamide
CID 9393068
N-(1,3-benzothiazol-2-ylmethyl)-2,6-difluoro-N-methylbenzamide
CID 16606856
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(methylamino)-3-nitrobenzamide
CID 9277503

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide (CID 55389866) is N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide is CCN(CC)c1ccc(C(=O)N(C)Cc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide?
The InChIKey is PXSBUEMNHHDPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-4-23(5-2)16-12-10-15(11-13-16)20(24)22(3)14-19-21-17-8-6-7-9-18(17)25-19/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide has a molecular weight of 353.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-4-(diethylamino)-N-methylbenzamide is sourced from PubChem (CID 55389866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).