N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide

C19H20ClN3OS — CID 26604586

IUPACN-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide
SMILESCCN(C(=O)CN(C)Cc1cccc(Cl)c1)c1nc2ccccc2s1
InChIInChI=1S/C19H20ClN3OS/c1-3-23(19-21-16-9-4-5-10-17(16)25-19)18(24)13-22(2)12-14-7-6-8-15(20)11-14/h4-11H,3,12-13H2,1-2H3
InChIKeyQYRNEOMIBGMRRJ-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.43
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide

N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide (PubChem CID 26604586) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide
PubChem CID26604586
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide
SMILESCCN(C(=O)CN(C)Cc1cccc(Cl)c1)c1nc2ccccc2s1
InChIInChI=1S/C19H20ClN3OS/c1-3-23(19-21-16-9-4-5-10-17(16)25-19)18(24)13-22(2)12-14-7-6-8-15(20)11-14/h4-11H,3,12-13H2,1-2H3
InChIKeyQYRNEOMIBGMRRJ-UHFFFAOYSA-N
XLogP4.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-ethylacetamide
CID 17488385
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
CID 30797489
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]acetamide
CID 8803452
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[3-(dimethylamino)propyl]benzamide
CID 7577445
N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 34189759
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
CID 78790298
N-(1,3-benzothiazol-2-yl)-N-benzyl-2-(2,4-dichlorophenoxy)acetamide
CID 41109508
N-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrachloro-N-ethylpyridine-2-carboxamide
CID 16559914
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 8802915
tert-butyl 2-[(3-chlorophenyl)methyl-methylamino]acetate
CID 123748358
N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110274

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide (CID 26604586) is N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide is CCN(C(=O)CN(C)Cc1cccc(Cl)c1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide?
The InChIKey is QYRNEOMIBGMRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-3-23(19-21-16-9-4-5-10-17(16)25-19)18(24)13-22(2)12-14-7-6-8-15(20)11-14/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide?
N-(1,3-benzothiazol-2-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide has a molecular weight of 373.91 g/mol, XLogP of 4.43, 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-yl)-2-[(3-chlorophenyl)methyl-methylamino]-N-ethylacetamide is sourced from PubChem (CID 26604586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).