N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide

C17H17N3O2S — CID 164576885

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCCOc1ccc2nc(N(Cc3ccncc3)C(C)=O)sc2c1
InChIInChI=1S/C17H17N3O2S/c1-3-22-14-4-5-15-16(10-14)23-17(19-15)20(12(2)21)11-13-6-8-18-9-7-13/h4-10H,3,11H2,1-2H3
InChIKeyCLEPCOSRXQABPK-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.64
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 164576885) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID164576885
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCCOc1ccc2nc(N(Cc3ccncc3)C(C)=O)sc2c1
InChIInChI=1S/C17H17N3O2S/c1-3-22-14-4-5-15-16(10-14)23-17(19-15)20(12(2)21)11-13-6-8-18-9-7-13/h4-10H,3,11H2,1-2H3
InChIKeyCLEPCOSRXQABPK-UHFFFAOYSA-N
XLogP3.64
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615810
N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 56501884
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340207
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 40508156
3-(benzenesulfonyl)-N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 41110325
N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110314
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)pent-4-enamide
CID 52866242
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
CID 43967111
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 18587392
N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110274
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 40982979
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966676

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 164576885) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide is CCOc1ccc2nc(N(Cc3ccncc3)C(C)=O)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is CLEPCOSRXQABPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-22-14-4-5-15-16(10-14)23-17(19-15)20(12(2)21)11-13-6-8-18-9-7-13/h4-10H,3,11H2,1-2H3.
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 164576885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).