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

C20H22N4OS — CID 50956027

IUPACN-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide
SMILESO=C(CCN1CCCCC1c1cccnc1)Nc1nc2ccccc2s1
InChIInChI=1S/C20H22N4OS/c25-19(23-20-22-16-7-1-2-9-18(16)26-20)10-13-24-12-4-3-8-17(24)15-6-5-11-21-14-15/h1-2,5-7,9,11,14,17H,3-4,8,10,12-13H2,(H,22,23,25)
InChIKeyWJOVYRKUUHRTPW-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.25
Rot. Bonds5

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

N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide (PubChem CID 50956027) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide
PubChem CID50956027
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide
SMILESO=C(CCN1CCCCC1c1cccnc1)Nc1nc2ccccc2s1
InChIInChI=1S/C20H22N4OS/c25-19(23-20-22-16-7-1-2-9-18(16)26-20)10-13-24-12-4-3-8-17(24)15-6-5-11-21-14-15/h1-2,5-7,9,11,14,17H,3-4,8,10,12-13H2,(H,22,23,25)
InChIKeyWJOVYRKUUHRTPW-UHFFFAOYSA-N
XLogP4.25
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide
CID 95121735
N-(1,3-benzothiazol-2-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684627
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1,3-benzothiazol-2-yl)propanamide
CID 2677046
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
3-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 78830213
1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
CID 26414987
N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093634
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
methyl 2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]propanoylamino]acetate
CID 95339244
3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
CID 124758484

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide (CID 50956027) is N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide is O=C(CCN1CCCCC1c1cccnc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide?
The InChIKey is WJOVYRKUUHRTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-19(23-20-22-16-7-1-2-9-18(16)26-20)10-13-24-12-4-3-8-17(24)15-6-5-11-21-14-15/h1-2,5-7,9,11,14,17H,3-4,8,10,12-13H2,(H,22,23,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide?
N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide has a molecular weight of 366.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide is sourced from PubChem (CID 50956027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).