(4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one

C12H12ClN3O2S — CID 146656572

IUPAC(4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(Cl)cc2ncsc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C12H12ClN3O2S/c1-6(7-2-10(17)14-4-7)18-12-11-8(15-5-19-11)3-9(13)16-12/h3,5-7H,2,4H2,1H3,(H,14,17)/t6-,7-/m1/s1
InChIKeyYETQYQYGHPVHRU-RNFRBKRXSA-N
MW297.77 g/mol
LogP2.25
Rot. Bonds3

About (4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one (PubChem CID 146656572) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one
PubChem CID146656572
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name(4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(Cl)cc2ncsc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C12H12ClN3O2S/c1-6(7-2-10(17)14-4-7)18-12-11-8(15-5-19-11)3-9(13)16-12/h3,5-7H,2,4H2,1H3,(H,14,17)/t6-,7-/m1/s1
InChIKeyYETQYQYGHPVHRU-RNFRBKRXSA-N
XLogP2.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one (CID 146656572) is (4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(Cl)cc2ncsc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one?
The InChIKey is YETQYQYGHPVHRU-RNFRBKRXSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-6(7-2-10(17)14-4-7)18-12-11-8(15-5-19-11)3-9(13)16-12/h3,5-7H,2,4H2,1H3,(H,14,17)/t6-,7-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one has a molecular weight of 297.77 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[(6-chloro-[1,3]thiazolo[5,4-c]pyridin-4-yl)oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 146656572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).