5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole

C14H18N4S — CID 125023271

IUPAC5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cncc(C2CCN(Cc3cncs3)CC2)n1
InChIInChI=1S/C14H18N4S/c1-11-6-15-8-14(17-11)12-2-4-18(5-3-12)9-13-7-16-10-19-13/h6-8,10,12H,2-5,9H2,1H3
InChIKeyYWYKGBKDZLLHLZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.62
Rot. Bonds3

About 5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole

5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 125023271) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID125023271
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cncc(C2CCN(Cc3cncs3)CC2)n1
InChIInChI=1S/C14H18N4S/c1-11-6-15-8-14(17-11)12-2-4-18(5-3-12)9-13-7-16-10-19-13/h6-8,10,12H,2-5,9H2,1H3
InChIKeyYWYKGBKDZLLHLZ-UHFFFAOYSA-N
XLogP2.62
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 125023271) is 5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1cncc(C2CCN(Cc3cncs3)CC2)n1.
What is the InChIKey of 5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is YWYKGBKDZLLHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-11-6-15-8-14(17-11)12-2-4-18(5-3-12)9-13-7-16-10-19-13/h6-8,10,12H,2-5,9H2,1H3.
What are the key properties of 5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole?
5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 274.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 125023271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).