5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one

C19H16N2OS — CID 122673577

IUPAC5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one
SMILESO=C1C=C(c2nc3ccccc3s2)CN(Cc2ccccc2)C1
InChIInChI=1S/C19H16N2OS/c22-16-10-15(19-20-17-8-4-5-9-18(17)23-19)12-21(13-16)11-14-6-2-1-3-7-14/h1-10H,11-13H2
InChIKeyDLDHUFARLCARAN-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.76
Rot. Bonds3

About 5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one

5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one (PubChem CID 122673577) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one
PubChem CID122673577
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one
SMILESO=C1C=C(c2nc3ccccc3s2)CN(Cc2ccccc2)C1
InChIInChI=1S/C19H16N2OS/c22-16-10-15(19-20-17-8-4-5-9-18(17)23-19)12-21(13-16)11-14-6-2-1-3-7-14/h1-10H,11-13H2
InChIKeyDLDHUFARLCARAN-UHFFFAOYSA-N
XLogP3.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzothiazol-2-yl)-2-benzylisoindole-1,3-dione
CID 1026253
4-[[4-(1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzonitrile
CID 22100953
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
N-[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 4107482
N-[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide;hydrochloride
CID 44973638
(3R)-1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 94068392
1-(1,3-benzothiazol-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
CID 15872236
2-[(3R)-1-benzylpiperidin-3-yl]-1,3-benzothiazole
CID 9388635
N-[3-(1,3-benzothiazol-2-yl)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 4985735
4-[[(3S)-3-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 51137070
8-(1,3-benzothiazol-2-yl)-9-benzyl-1-methyl-3H-purine-2,6-dione
CID 135891340
3-(1,3-benzothiazol-2-yl)-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 122673512

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one (CID 122673577) is 5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one is O=C1C=C(c2nc3ccccc3s2)CN(Cc2ccccc2)C1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one?
The InChIKey is DLDHUFARLCARAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c22-16-10-15(19-20-17-8-4-5-9-18(17)23-19)12-21(13-16)11-14-6-2-1-3-7-14/h1-10H,11-13H2.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one?
5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one has a molecular weight of 320.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-1-benzyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 122673577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).