4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one

C19H19N3O3S — CID 86265623

IUPAC4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)cc(=O)n1C
InChIInChI=1S/C19H19N3O3S/c1-12-9-14(10-17(23)21(12)2)25-13-7-8-22(11-13)19(24)18-20-15-5-3-4-6-16(15)26-18/h3-6,9-10,13H,7-8,11H2,1-2H3
InChIKeyBIJKKMOWRLMEHM-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.60
Rot. Bonds3

About 4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 86265623) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID86265623
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)cc(=O)n1C
InChIInChI=1S/C19H19N3O3S/c1-12-9-14(10-17(23)21(12)2)25-13-7-8-22(11-13)19(24)18-20-15-5-3-4-6-16(15)26-18/h3-6,9-10,13H,7-8,11H2,1-2H3
InChIKeyBIJKKMOWRLMEHM-UHFFFAOYSA-N
XLogP2.60
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156264
1,3-benzothiazol-2-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617145
1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one
CID 86265620
1,6-dimethyl-4-[1-(2-phenoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121156235
1,3-benzothiazol-2-yl-(3-pyridazin-3-yloxypiperidin-1-yl)methanone
CID 91627678
1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one
CID 86265656
4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265550
1,6-dimethyl-4-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121182574
methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 121156265
1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156254
1,6-dimethyl-4-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156319
1,6-dimethyl-4-[1-(3-phenylsulfanylpropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156275

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one (CID 86265623) is 4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(OC2CCN(C(=O)c3nc4ccccc4s3)C2)cc(=O)n1C.
What is the InChIKey of 4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is BIJKKMOWRLMEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-9-14(10-17(23)21(12)2)25-13-7-8-22(11-13)19(24)18-20-15-5-3-4-6-16(15)26-18/h3-6,9-10,13H,7-8,11H2,1-2H3.
What are the key properties of 4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 369.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-benzothiazole-2-carbonyl)pyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86265623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).