2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

C16H21N5OS — CID 127246993

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCNc1cncc(C2CCCN2C(=O)Cc2sc(C)nc2C)n1
InChIInChI=1S/C16H21N5OS/c1-10-14(23-11(2)19-10)7-16(22)21-6-4-5-13(21)12-8-18-9-15(17-3)20-12/h8-9,13H,4-7H2,1-3H3,(H,17,20)
InChIKeyARYUYIXUUYVDIZ-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.50
Rot. Bonds4

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 127246993) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID127246993
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCNc1cncc(C2CCCN2C(=O)Cc2sc(C)nc2C)n1
InChIInChI=1S/C16H21N5OS/c1-10-14(23-11(2)19-10)7-16(22)21-6-4-5-13(21)12-8-18-9-15(17-3)20-12/h8-9,13H,4-7H2,1-3H3,(H,17,20)
InChIKeyARYUYIXUUYVDIZ-UHFFFAOYSA-N
XLogP2.50
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 124986769
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124957900
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
3-(2-fluorophenyl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 127246974
3-(1H-indol-3-yl)-1-[(2S)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 125009412
(2-cyclopropylpyrimidin-5-yl)-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 127247024
1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110265611
(4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124940608
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 175652542
2-amino-1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110269783
(E)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 175652538
(E)-1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 125021075

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone (CID 127246993) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is CNc1cncc(C2CCCN2C(=O)Cc2sc(C)nc2C)n1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is ARYUYIXUUYVDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-10-14(23-11(2)19-10)7-16(22)21-6-4-5-13(21)12-8-18-9-15(17-3)20-12/h8-9,13H,4-7H2,1-3H3,(H,17,20).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 331.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 127246993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).