1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

C15H18N4OS — CID 110131717

IUPAC1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2-c2cnc(C)s2)CC1
InChIInChI=1S/C15H18N4OS/c1-10-18-9-13(21-10)15-14(16-5-6-17-15)12-3-7-19(8-4-12)11(2)20/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyZRFOOWSKIDBBOB-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.63
Rot. Bonds2

About 1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110131717) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID110131717
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nccnc2-c2cnc(C)s2)CC1
InChIInChI=1S/C15H18N4OS/c1-10-18-9-13(21-10)15-14(16-5-6-17-15)12-3-7-19(8-4-12)11(2)20/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyZRFOOWSKIDBBOB-UHFFFAOYSA-N
XLogP2.63
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 110131717) is 1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nccnc2-c2cnc(C)s2)CC1.
What is the InChIKey of 1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ZRFOOWSKIDBBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-18-9-13(21-10)15-14(16-5-6-17-15)12-3-7-19(8-4-12)11(2)20/h5-6,9,12H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 302.40 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110131717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).