1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one

C15H19N3OS — CID 107801589

IUPAC1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(c2ccc3ncsc3c2)C1=O
InChIInChI=1S/C15H19N3OS/c1-2-7-16-13-4-3-8-18(15(13)19)11-5-6-12-14(9-11)20-10-17-12/h5-6,9-10,13,16H,2-4,7-8H2,1H3
InChIKeyVGIAZVVFQHHTGZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.79
Rot. Bonds4

About 1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one

1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one (PubChem CID 107801589) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one
PubChem CID107801589
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(c2ccc3ncsc3c2)C1=O
InChIInChI=1S/C15H19N3OS/c1-2-7-16-13-4-3-8-18(15(13)19)11-5-6-12-14(9-11)20-10-17-12/h5-6,9-10,13,16H,2-4,7-8H2,1H3
InChIKeyVGIAZVVFQHHTGZ-UHFFFAOYSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-6-yl)-3-(ethylamino)pyrrolidin-2-one
CID 114002787
1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one
CID 114223180
1-(1,3-benzothiazol-6-yl)-3-propyl-1,4-diazepane-2,5-dione
CID 107806718
1-(1,3-benzothiazol-6-yl)-3-ethylpiperazine-2,5-dione
CID 107806702
1-(1,3-benzothiazol-6-yl)-4-methylimidazolidin-2-one
CID 59636211
1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 62812484
1-(2-bromo-5-chloro-4-methylphenyl)-3-(propylamino)piperidin-2-one
CID 104725316
methyl 1-(1,3-benzothiazol-6-yl)azetidine-2-carboxylate
CID 107802150
1-[(4,5-dimethylthiophen-2-yl)methyl]-3-(propylamino)piperidin-2-one
CID 65245379
1-(1,3-benzothiazol-6-yl)-3-(2-methyl-4-pyrrolidin-1-yl-3-pyridinyl)imidazolidin-2-one
CID 174715781
1-(1-methylpyrazol-4-yl)-3-(2-pyrazol-1-ylethylamino)piperidin-2-one
CID 127354102
6-[4-[(3,4-dimethylphenyl)methyl]piperidin-1-yl]-1,3-benzothiazole
CID 174512930

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one?
The IUPAC name of 1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one (CID 107801589) is 1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one?
The canonical SMILES for 1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one is CCCNC1CCCN(c2ccc3ncsc3c2)C1=O.
What is the InChIKey of 1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one?
The InChIKey is VGIAZVVFQHHTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-7-16-13-4-3-8-18(15(13)19)11-5-6-12-14(9-11)20-10-17-12/h5-6,9-10,13,16H,2-4,7-8H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one?
1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one has a molecular weight of 289.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yl)-3-(propylamino)piperidin-2-one is sourced from PubChem (CID 107801589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).