2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide

C19H21N3O2S — CID 90605583

IUPAC2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide
SMILESCOc1cccc2sc(N(C)CC(=O)NCCc3ccccc3)nc12
InChIInChI=1S/C19H21N3O2S/c1-22(13-17(23)20-12-11-14-7-4-3-5-8-14)19-21-18-15(24-2)9-6-10-16(18)25-19/h3-10H,11-13H2,1-2H3,(H,20,23)
InChIKeyDBRUHZMRRIOCAC-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.10
Rot. Bonds7

About 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide

2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide (PubChem CID 90605583) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide
PubChem CID90605583
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide
SMILESCOc1cccc2sc(N(C)CC(=O)NCCc3ccccc3)nc12
InChIInChI=1S/C19H21N3O2S/c1-22(13-17(23)20-12-11-14-7-4-3-5-8-14)19-21-18-15(24-2)9-6-10-16(18)25-19/h3-10H,11-13H2,1-2H3,(H,20,23)
InChIKeyDBRUHZMRRIOCAC-UHFFFAOYSA-N
XLogP3.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide
CID 90605786
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(3-methylbutyl)acetamide
CID 90605563
N-[2-(3-methoxyphenyl)ethyl]-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide
CID 71790439
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N,N-dimethylacetamide
CID 90605526
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 90605614
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 90605712
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 90605660
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide
CID 90605768
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 90605544
N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 56765770
2-[2-[[2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 90605694
N-[2-(dimethylamino)ethyl]-2-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507934

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide (CID 90605583) is 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide is COc1cccc2sc(N(C)CC(=O)NCCc3ccccc3)nc12.
What is the InChIKey of 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is DBRUHZMRRIOCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-22(13-17(23)20-12-11-14-7-4-3-5-8-14)19-21-18-15(24-2)9-6-10-16(18)25-19/h3-10H,11-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide?
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 90605583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).