4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one

C13H11N3O2S — CID 168500937

IUPAC4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2nc3ccc(OC)nc3s2)C1
InChIInChI=1S/C13H11N3O2S/c1-3-8-6-11(17)16(7-8)13-14-9-4-5-10(18-2)15-12(9)19-13/h1,4-5,8H,6-7H2,2H3
InChIKeyZYZRQOJWBSNLOE-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.69
Rot. Bonds2

About 4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one

4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one (PubChem CID 168500937) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one
PubChem CID168500937
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2nc3ccc(OC)nc3s2)C1
InChIInChI=1S/C13H11N3O2S/c1-3-8-6-11(17)16(7-8)13-14-9-4-5-10(18-2)15-12(9)19-13/h1,4-5,8H,6-7H2,2H3
InChIKeyZYZRQOJWBSNLOE-UHFFFAOYSA-N
XLogP1.69
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 5202576
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CID 53187245
CID 53187245
CID 154946773
CID 154946773
CID 154946800
CID 154946800
CID 154946954
CID 154946954
CID 158375405
CID 158375405
CID 168675767
CID 168675767
CID 168714171
CID 168714171
CID 11060180
CID 11060180

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one (CID 168500937) is 4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one is C#CC1CC(=O)N(c2nc3ccc(OC)nc3s2)C1.
What is the InChIKey of 4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one?
The InChIKey is ZYZRQOJWBSNLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-3-8-6-11(17)16(7-8)13-14-9-4-5-10(18-2)15-12(9)19-13/h1,4-5,8H,6-7H2,2H3.
What are the key properties of 4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one?
4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one has a molecular weight of 273.32 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168500937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).