N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide

C19H17N3O2S — CID 86858145

IUPACN-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide
SMILESCC(CNC(=O)COc1ccccc1C#N)c1nc2ccccc2s1
InChIInChI=1S/C19H17N3O2S/c1-13(19-22-15-7-3-5-9-17(15)25-19)11-21-18(23)12-24-16-8-4-2-6-14(16)10-20/h2-9,13H,11-12H2,1H3,(H,21,23)
InChIKeyKDCZVMCIPXELNG-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide

N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide (PubChem CID 86858145) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide
PubChem CID86858145
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide
SMILESCC(CNC(=O)COc1ccccc1C#N)c1nc2ccccc2s1
InChIInChI=1S/C19H17N3O2S/c1-13(19-22-15-7-3-5-9-17(15)25-19)11-21-18(23)12-24-16-8-4-2-6-14(16)10-20/h2-9,13H,11-12H2,1H3,(H,21,23)
InChIKeyKDCZVMCIPXELNG-UHFFFAOYSA-N
XLogP3.47
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenoxy)-N-(3-methoxy-2-methylpropyl)acetamide
CID 48685478
2-(2-cyanophenoxy)-N-(2-methyl-3-methylsulfanylpropyl)acetamide
CID 63959775
2-(2-cyanophenoxy)-N-(2-methylsulfinylpropyl)acetamide
CID 115764495
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(4-ethoxyphenyl)propanamide
CID 86858183
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-methylsulfonylpropanamide
CID 86858216
2-(2-cyanophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 9247174
2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979331
N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-1-methoxypropan-2-yl]-methylamino]acetamide
CID 94375513
N-[2-(1,3-benzothiazol-2-yl)propyl]-6-chloropyridine-3-carboxamide
CID 86858161
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
N-[2-(1,3-benzothiazol-2-yl)propyl]-4-ethoxy-3-nitrobenzamide
CID 86858118
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)-3-methylbutanamide
CID 55940464

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide (CID 86858145) is N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide is CC(CNC(=O)COc1ccccc1C#N)c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide?
The InChIKey is KDCZVMCIPXELNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13(19-22-15-7-3-5-9-17(15)25-19)11-21-18(23)12-24-16-8-4-2-6-14(16)10-20/h2-9,13H,11-12H2,1H3,(H,21,23).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide?
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide has a molecular weight of 351.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 86858145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).