2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone

C20H21N5O2S — CID 95844059

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC[C@@H](c3cncc(Oc4cccnc4)n3)C2)cs1
InChIInChI=1S/C20H21N5O2S/c1-14-23-16(13-28-14)8-20(26)25-7-3-4-15(12-25)18-10-22-11-19(24-18)27-17-5-2-6-21-9-17/h2,5-6,9-11,13,15H,3-4,7-8,12H2,1H3/t15-/m1/s1
InChIKeyGUKHSZBNWPAVPU-OAHLLOKOSA-N
MW395.49 g/mol
LogP3.38
Rot. Bonds5

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone (PubChem CID 95844059) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
PubChem CID95844059
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCC[C@@H](c3cncc(Oc4cccnc4)n3)C2)cs1
InChIInChI=1S/C20H21N5O2S/c1-14-23-16(13-28-14)8-20(26)25-7-3-4-15(12-25)18-10-22-11-19(24-18)27-17-5-2-6-21-9-17/h2,5-6,9-11,13,15H,3-4,7-8,12H2,1H3/t15-/m1/s1
InChIKeyGUKHSZBNWPAVPU-OAHLLOKOSA-N
XLogP3.38
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone 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-(2-methyl-1,3-thiazol-4-yl)-1-[(3S)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95844058
1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone
CID 95821940
1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95810396
2-methoxy-1-[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822522
2-methoxy-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822523
1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95845725
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301
2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823516
2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine
CID 95821868
1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825262
1-[(3R)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825263

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone (CID 95844059) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone is Cc1nc(CC(=O)N2CCC[C@@H](c3cncc(Oc4cccnc4)n3)C2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is GUKHSZBNWPAVPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-14-23-16(13-28-14)8-20(26)25-7-3-4-15(12-25)18-10-22-11-19(24-18)27-17-5-2-6-21-9-17/h2,5-6,9-11,13,15H,3-4,7-8,12H2,1H3/t15-/m1/s1.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 395.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95844059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).