2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole

C18H26N4O2S2 — CID 125020252

IUPAC2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole
SMILESCC(C)Cc1ncc(-c2cncc(C[C@@H]3CCCN(S(C)(=O)=O)C3)n2)s1
InChIInChI=1S/C18H26N4O2S2/c1-13(2)7-18-20-11-17(25-18)16-10-19-9-15(21-16)8-14-5-4-6-22(12-14)26(3,23)24/h9-11,13-14H,4-8,12H2,1-3H3/t14-/m0/s1
InChIKeyYBLZUQNDSCVYBZ-AWEZNQCLSA-N
MW394.57 g/mol
LogP3.01
Rot. Bonds6

About 2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole

2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole (PubChem CID 125020252) has the molecular formula C18H26N4O2S2 and a molecular weight of 394.57 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole
PubChem CID125020252
Molecular FormulaC18H26N4O2S2
Molecular Weight394.57 g/mol
Exact Mass394.15
IUPAC Name2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole
SMILESCC(C)Cc1ncc(-c2cncc(C[C@@H]3CCCN(S(C)(=O)=O)C3)n2)s1
InChIInChI=1S/C18H26N4O2S2/c1-13(2)7-18-20-11-17(25-18)16-10-19-9-15(21-16)8-14-5-4-6-22(12-14)26(3,23)24/h9-11,13-14H,4-8,12H2,1-3H3/t14-/m0/s1
InChIKeyYBLZUQNDSCVYBZ-AWEZNQCLSA-N
XLogP3.01
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.57
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole with MolForge

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124972197
2-(2-methylpropyl)-5-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole
CID 110131736
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 124977978
2-chloro-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804526
2-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1H-pyrazol-4-yl)pyrazine
CID 124945514
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine
CID 124998163
2-(2-methylpropyl)-5-[6-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1,3-thiazole
CID 110130923
2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
CID 124974214
4,5-dimethyl-2-[6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
CID 132765382
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645
4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
2-(5-methyl-1H-pyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124966971

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole?
The IUPAC name of 2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole (CID 125020252) is 2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole is CC(C)Cc1ncc(-c2cncc(C[C@@H]3CCCN(S(C)(=O)=O)C3)n2)s1.
What is the InChIKey of 2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole?
The InChIKey is YBLZUQNDSCVYBZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O2S2/c1-13(2)7-18-20-11-17(25-18)16-10-19-9-15(21-16)8-14-5-4-6-22(12-14)26(3,23)24/h9-11,13-14H,4-8,12H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole?
2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole has a molecular weight of 394.57 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-[6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-thiazole is sourced from PubChem (CID 125020252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).