2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one

C18H24N4OS — CID 110131734

IUPAC2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESCc1ncsc1-c1cncc(CC2CCN(C(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C18H24N4OS/c1-12-16(24-11-20-12)15-9-19-8-14(21-15)7-13-5-6-22(10-13)17(23)18(2,3)4/h8-9,11,13H,5-7,10H2,1-4H3
InChIKeyONRSSCUFWVIDHN-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.35
Rot. Bonds3

About 2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110131734) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID110131734
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
SMILESCc1ncsc1-c1cncc(CC2CCN(C(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C18H24N4OS/c1-12-16(24-11-20-12)15-9-19-8-14(21-15)7-13-5-6-22(10-13)17(23)18(2,3)4/h8-9,11,13H,5-7,10H2,1-4H3
InChIKeyONRSSCUFWVIDHN-UHFFFAOYSA-N
XLogP3.35
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-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

5-[6-[[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]methyl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 110120519
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124995802
2,2-dimethyl-1-[(3S)-3-[[6-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 125016939
1-[(3R)-3-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 124989609
cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone
CID 124993993
[3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110110265
1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 125024619
2,2-dimethyl-1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 110101070
3-[6-[[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]benzoic acid
CID 124961442
2,2-dimethyl-1-[(3R)-3-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124969820
1-[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 124951805
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 125003846

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one (CID 110131734) is 2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one is Cc1ncsc1-c1cncc(CC2CCN(C(=O)C(C)(C)C)C2)n1.
What is the InChIKey of 2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is ONRSSCUFWVIDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12-16(24-11-20-12)15-9-19-8-14(21-15)7-13-5-6-22(10-13)17(23)18(2,3)4/h8-9,11,13H,5-7,10H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 344.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-[[6-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110131734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).