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

C19H17N5O2S — CID 155340646

IUPAC(3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCc1cc(C#C[C@]2(O)CCN(C)C2=O)cc(-c2nc3c(N)ncnc3s2)c1
InChIInChI=1S/C19H17N5O2S/c1-11-7-12(3-4-19(26)5-6-24(2)18(19)25)9-13(8-11)16-23-14-15(20)21-10-22-17(14)27-16/h7-10,26H,5-6H2,1-2H3,(H2,20,21,22)/t19-/m0/s1
InChIKeyYTXDSPWZIHXOPJ-IBGZPJMESA-N
MW379.45 g/mol
LogP1.59
Rot. Bonds1

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

(3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 155340646) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is (3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID155340646
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name(3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one
SMILESCc1cc(C#C[C@]2(O)CCN(C)C2=O)cc(-c2nc3c(N)ncnc3s2)c1
InChIInChI=1S/C19H17N5O2S/c1-11-7-12(3-4-19(26)5-6-24(2)18(19)25)9-13(8-11)16-23-14-15(20)21-10-22-17(14)27-16/h7-10,26H,5-6H2,1-2H3,(H2,20,21,22)/t19-/m0/s1
InChIKeyYTXDSPWZIHXOPJ-IBGZPJMESA-N
XLogP1.59
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]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 (3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one (CID 155340646) is (3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one is Cc1cc(C#C[C@]2(O)CCN(C)C2=O)cc(-c2nc3c(N)ncnc3s2)c1.
What is the InChIKey of (3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is YTXDSPWZIHXOPJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-11-7-12(3-4-19(26)5-6-24(2)18(19)25)9-13(8-11)16-23-14-15(20)21-10-22-17(14)27-16/h7-10,26H,5-6H2,1-2H3,(H2,20,21,22)/t19-/m0/s1.
What are the key properties of (3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one?
(3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 379.45 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[3-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-5-methylphenyl]ethynyl]-3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 155340646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).