7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C17H21N5OS — CID 146138548

IUPAC7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CN3CCCC3c3c(C)n[nH]c3C)nc2s1
InChIInChI=1S/C17H21N5OS/c1-10-8-22-15(23)7-13(18-17(22)24-10)9-21-6-4-5-14(21)16-11(2)19-20-12(16)3/h7-8,14H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyZGPLMFDEHASHGL-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.74
Rot. Bonds3

About 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 146138548) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID146138548
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CN3CCCC3c3c(C)n[nH]c3C)nc2s1
InChIInChI=1S/C17H21N5OS/c1-10-8-22-15(23)7-13(18-17(22)24-10)9-21-6-4-5-14(21)16-11(2)19-20-12(16)3/h7-8,14H,4-6,9H2,1-3H3,(H,19,20)
InChIKeyZGPLMFDEHASHGL-UHFFFAOYSA-N
XLogP2.74
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[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

2-methyl-7-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91839409
(6R)-5-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97272477
7-[[(2S)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124754555
7-[[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124754556
7-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92830397
3-methyl-7-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92849796
7-[[(3aS,6aR)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 136585971
2-tert-butyl-5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 167881418
7-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17448130
7-[[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70718019
7-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9209147
7-[[6-(hydroxymethyl)-1,4-oxazepan-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70720602

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 146138548) is 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)cc(CN3CCCC3c3c(C)n[nH]c3C)nc2s1.
What is the InChIKey of 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ZGPLMFDEHASHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-10-8-22-15(23)7-13(18-17(22)24-10)9-21-6-4-5-14(21)16-11(2)19-20-12(16)3/h7-8,14H,4-6,9H2,1-3H3,(H,19,20).
What are the key properties of 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 343.46 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 146138548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).