3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one

C18H15N5O2S — CID 155340482

IUPAC3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)(C#Cc2cccc(-c3nc4c(N)ncnc4s3)c2)C1=O
InChIInChI=1S/C18H15N5O2S/c1-23-8-7-18(25,17(23)24)6-5-11-3-2-4-12(9-11)15-22-13-14(19)20-10-21-16(13)26-15/h2-4,9-10,25H,7-8H2,1H3,(H2,19,20,21)
InChIKeyCGYSVYQDLMHPPE-UHFFFAOYSA-N
MW365.42 g/mol
LogP1.28
Rot. Bonds1

About 3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one

3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 155340482) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID155340482
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)(C#Cc2cccc(-c3nc4c(N)ncnc4s3)c2)C1=O
InChIInChI=1S/C18H15N5O2S/c1-23-8-7-18(25,17(23)24)6-5-11-3-2-4-12(9-11)15-22-13-14(19)20-10-21-16(13)26-15/h2-4,9-10,25H,7-8H2,1H3,(H2,19,20,21)
InChIKeyCGYSVYQDLMHPPE-UHFFFAOYSA-N
XLogP1.28
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 155340482) is 3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one is CN1CCC(O)(C#Cc2cccc(-c3nc4c(N)ncnc4s3)c2)C1=O.
What is the InChIKey of 3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is CGYSVYQDLMHPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-23-8-7-18(25,17(23)24)6-5-11-3-2-4-12(9-11)15-22-13-14(19)20-10-21-16(13)26-15/h2-4,9-10,25H,7-8H2,1H3,(H2,19,20,21).
What are the key properties of 3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one?
3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 365.42 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 155340482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).