5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole

C14H18N4O2S2 — CID 110130955

IUPAC5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC(Cc2nccnc2-c2cncs2)CC1
InChIInChI=1S/C14H18N4O2S2/c1-22(19,20)18-6-2-11(3-7-18)8-12-14(17-5-4-16-12)13-9-15-10-21-13/h4-5,9-11H,2-3,6-8H2,1H3
InChIKeyFHSCEKDXXFXBNZ-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.81
Rot. Bonds4

About 5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole

5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole (PubChem CID 110130955) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole
PubChem CID110130955
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC(Cc2nccnc2-c2cncs2)CC1
InChIInChI=1S/C14H18N4O2S2/c1-22(19,20)18-6-2-11(3-7-18)8-12-14(17-5-4-16-12)13-9-15-10-21-13/h4-5,9-11H,2-3,6-8H2,1H3
InChIKeyFHSCEKDXXFXBNZ-UHFFFAOYSA-N
XLogP1.81
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-Methylpropyl)piperidin-4-yl]-4-(3-methylpyrazin-2-yl)-1,3-thiazole
CID 16061978
5-[2-[6-[2-(5-Propan-2-ylpyrazin-2-yl)propan-2-yl]-3-pyridinyl]propan-2-yl]-1,3-thiazole
CID 134512745
5-(3-Propan-2-ylpyrazin-2-yl)-1,3-thiazole
CID 166541975
4-(3-Propan-2-ylpyrazin-2-yl)-1,3-thiazole
CID 166541984
5-(3-Propan-2-ylpyrazin-2-yl)-1,3-thiazole-2-carbonitrile
CID 172141736
5-[3-(Pyrrolidin-3-ylmethyl)pyrazin-2-yl]-1,3-thiazole
CID 73439845
5-[3-(Piperidin-4-ylmethyl)pyrazin-2-yl]-1,3-thiazole
CID 73439960
2-[6-(1-Methylsulfonylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole
CID 110093249
N,N-dimethyl-3-[5-(1,3-thiazol-2-yl)-2-pyridinyl]piperidine-1-sulfonamide
CID 110093251
N,N-dimethyl-4-[6-(1,3-thiazol-2-yl)-2-pyridinyl]piperidine-1-sulfonamide
CID 110094765
2-[6-(1-Methylsulfonylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole
CID 110095230
2-(2-Methylpropyl)-5-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-thiazole
CID 110095264

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole?
The IUPAC name of 5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole (CID 110130955) is 5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole is CS(=O)(=O)N1CCC(Cc2nccnc2-c2cncs2)CC1.
What is the InChIKey of 5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole?
The InChIKey is FHSCEKDXXFXBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-22(19,20)18-6-2-11(3-7-18)8-12-14(17-5-4-16-12)13-9-15-10-21-13/h4-5,9-11H,2-3,6-8H2,1H3.
What are the key properties of 5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole?
5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole has a molecular weight of 338.46 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazin-2-yl]-1,3-thiazole is sourced from PubChem (CID 110130955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).