[(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C17H18N6OS — CID 95838530

IUPAC[(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC[C@H]1c1cncc(-n2ccnc2C)n1
InChIInChI=1S/C17H18N6OS/c1-11-16(25-10-20-11)17(24)23-6-3-4-14(23)13-8-18-9-15(21-13)22-7-5-19-12(22)2/h5,7-10,14H,3-4,6H2,1-2H3/t14-/m0/s1
InChIKeyCGANPNNFLAPZTK-AWEZNQCLSA-N
MW354.44 g/mol
LogP2.71
Rot. Bonds3

About [(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 95838530) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is [(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID95838530
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC Name[(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCC[C@H]1c1cncc(-n2ccnc2C)n1
InChIInChI=1S/C17H18N6OS/c1-11-16(25-10-20-11)17(24)23-6-3-4-14(23)13-8-18-9-15(21-13)22-7-5-19-12(22)2/h5,7-10,14H,3-4,6H2,1-2H3/t14-/m0/s1
InChIKeyCGANPNNFLAPZTK-AWEZNQCLSA-N
XLogP2.71
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone 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

1-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95838461
1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 95838733
[(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124998077
cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 110267761
[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95838332
2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95838646
cyclopentyl-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838436
cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838423
1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 95834547
[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110267913
[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95824408
cyclopentyl-[3-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110253502

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 95838530) is [(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCC[C@H]1c1cncc(-n2ccnc2C)n1.
What is the InChIKey of [(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is CGANPNNFLAPZTK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-11-16(25-10-20-11)17(24)23-6-3-4-14(23)13-8-18-9-15(21-13)22-7-5-19-12(22)2/h5,7-10,14H,3-4,6H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 354.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 95838530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).