3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one

C13H12ClN3O2S — CID 170326818

IUPAC3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)(c2cnc(-c3cccc(Cl)n3)s2)C1=O
InChIInChI=1S/C13H12ClN3O2S/c1-17-6-5-13(19,12(17)18)9-7-15-11(20-9)8-3-2-4-10(14)16-8/h2-4,7,19H,5-6H2,1H3
InChIKeyRQFKYFIIUWPRJE-UHFFFAOYSA-N
MW309.78 g/mol
LogP1.91
Rot. Bonds2

About 3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one

3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170326818) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID170326818
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)(c2cnc(-c3cccc(Cl)n3)s2)C1=O
InChIInChI=1S/C13H12ClN3O2S/c1-17-6-5-13(19,12(17)18)9-7-15-11(20-9)8-3-2-4-10(14)16-8/h2-4,7,19H,5-6H2,1H3
InChIKeyRQFKYFIIUWPRJE-UHFFFAOYSA-N
XLogP1.91
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(5-bromothiophen-2-yl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 178130983
3-[5-(6-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]-1,3-dimethylpyrrolidin-2-one
CID 170382509
(3S)-3-[5-(3-bromophenyl)-1,3-thiazol-2-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170351361
(3R)-3-[5-[6-[2-[(5-chloro-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170573518
3-[5-[3-[(7-chloro-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)amino]phenyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350572
3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170350746
(3S)-3-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170351570
(3R)-3-[5-[6-[6-deuterio-2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170573550
(3R)-3-[3-[6-[2-[(5-chloro-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170380619
6-[5-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]furan-2-yl]pyridine-2-carboxylic acid
CID 170350528
3-hydroxy-1-methyl-3-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazol-4-yl]pyrrolidin-2-one
CID 170575019
3-[5-[6-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326541

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 170326818) is 3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is CN1CCC(O)(c2cnc(-c3cccc(Cl)n3)s2)C1=O.
What is the InChIKey of 3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is RQFKYFIIUWPRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c1-17-6-5-13(19,12(17)18)9-7-15-11(20-9)8-3-2-4-10(14)16-8/h2-4,7,19H,5-6H2,1H3.
What are the key properties of 3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one?
3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 309.78 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170326818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).