6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H15N5O2S — CID 95603581

IUPAC6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C15H15N5O2S/c21-13(12-9-16-15-20(14(12)22)7-8-23-15)19-6-1-3-11(19)10-18-5-2-4-17-18/h2,4-5,7-9,11H,1,3,6,10H2/t11-/m0/s1
InChIKeyJRFSZKZSQANNMY-NSHDSACASA-N
MW329.38 g/mol
LogP1.26
Rot. Bonds3

About 6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 95603581) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is 6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID95603581
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC Name6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2sccn2c1=O)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C15H15N5O2S/c21-13(12-9-16-15-20(14(12)22)7-8-23-15)19-6-1-3-11(19)10-18-5-2-4-17-18/h2,4-5,7-9,11H,1,3,6,10H2/t11-/m0/s1
InChIKeyJRFSZKZSQANNMY-NSHDSACASA-N
XLogP1.26
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 98370560
6-(2-ethylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51254590
ethyl 2-[1-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidin-2-yl]acetate
CID 70762897
(2,5-dichlorothiophen-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603586
(4-methylpyrimidin-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603803
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
(2-pyrazin-2-yl-1,3-thiazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603962
(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95327696
(2-piperidin-1-yl-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603771
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 95603823
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
1,6-dimethyl-3-[(2S)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95347276

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 95603581) is 6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of 6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is JRFSZKZSQANNMY-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N5O2S/c21-13(12-9-16-15-20(14(12)22)7-8-23-15)19-6-1-3-11(19)10-18-5-2-4-17-18/h2,4-5,7-9,11H,1,3,6,10H2/t11-/m0/s1.
What are the key properties of 6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 329.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 95603581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).