N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide

C22H19N3O2S — CID 18576666

IUPACN-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2ccccc2s1
InChIInChI=1S/C22H19N3O2S/c26-21(13-15-27-18-9-2-1-3-10-18)25(16-17-8-6-7-14-23-17)22-24-19-11-4-5-12-20(19)28-22/h1-12,14H,13,15-16H2
InChIKeyGWIDMJPECVZANR-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.69
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide

N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 18576666) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
PubChem CID18576666
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2ccccc2s1
InChIInChI=1S/C22H19N3O2S/c26-21(13-15-27-18-9-2-1-3-10-18)25(16-17-8-6-7-14-23-17)22-24-19-11-4-5-12-20(19)28-22/h1-12,14H,13,15-16H2
InChIKeyGWIDMJPECVZANR-UHFFFAOYSA-N
XLogP4.69
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 16939124
N-(1,3-benzothiazol-2-yl)-2-(4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 43986740
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
CID 18582193
N-(1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 18576672
N-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)propanamide
CID 18576688
N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 43986969
N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 162380437
N-(1,3-benzothiazol-2-yl)-4-bromo-N-(pyridin-2-ylmethyl)benzamide
CID 41004756
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 40519364
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 43986172
N-(1,3-benzothiazol-2-yl)-2,5-dichloro-N-(pyridin-2-ylmethyl)thiophene-3-carboxamide
CID 43985949
N-(1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)quinoxaline-6-carboxamide
CID 43986955

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide (CID 18576666) is N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide is O=C(CCOc1ccccc1)N(Cc1ccccn1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is GWIDMJPECVZANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-21(13-15-27-18-9-2-1-3-10-18)25(16-17-8-6-7-14-23-17)22-24-19-11-4-5-12-20(19)28-22/h1-12,14H,13,15-16H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide?
N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 389.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 18576666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).