1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one

C20H22F3N3O2S — CID 139009502

IUPAC1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCC(c2nc3c(s2)CCCC3)C1
InChIInChI=1S/C20H22F3N3O2S/c21-20(22,23)14-7-8-17(27)26(11-14)12-18(28)25-9-3-4-13(10-25)19-24-15-5-1-2-6-16(15)29-19/h7-8,11,13H,1-6,9-10,12H2
InChIKeyMHYKFWPEPINILS-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.61
Rot. Bonds3

About 1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 139009502) has the molecular formula C20H22F3N3O2S and a molecular weight of 425.48 g/mol. Its IUPAC name is 1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID139009502
Molecular FormulaC20H22F3N3O2S
Molecular Weight425.48 g/mol
Exact Mass425.14
IUPAC Name1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCC(c2nc3c(s2)CCCC3)C1
InChIInChI=1S/C20H22F3N3O2S/c21-20(22,23)14-7-8-17(27)26(11-14)12-18(28)25-9-3-4-13(10-25)19-24-15-5-1-2-6-16(15)29-19/h7-8,11,13H,1-6,9-10,12H2
InChIKeyMHYKFWPEPINILS-UHFFFAOYSA-N
XLogP3.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 39958651
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 31429971
(2-sulfanylidene-1H-pyridin-3-yl)-[(3R)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 99621725
1-[2-[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 133117232
1-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 30954023
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 120639442
1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71683914
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 2105680
1-[2-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 72936516
1-[2-[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 97096945
1-[2-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 97096943
1-[2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 91797989

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 139009502) is 1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one is O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCCC(c2nc3c(s2)CCCC3)C1.
What is the InChIKey of 1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is MHYKFWPEPINILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2S/c21-20(22,23)14-7-8-17(27)26(11-14)12-18(28)25-9-3-4-13(10-25)19-24-15-5-1-2-6-16(15)29-19/h7-8,11,13H,1-6,9-10,12H2.
What are the key properties of 1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 425.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 139009502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).