2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide

C14H19N5O3S2 — CID 154754888

IUPAC2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NC2CCCN(c3ncc[nH]c3=O)C2)s1
InChIInChI=1S/C14H19N5O3S2/c1-2-11-17-8-12(23-11)24(21,22)18-10-4-3-7-19(9-10)13-14(20)16-6-5-15-13/h5-6,8,10,18H,2-4,7,9H2,1H3,(H,16,20)
InChIKeyWMYJLSSNDTUDFF-UHFFFAOYSA-N
MW369.47 g/mol
LogP0.74
Rot. Bonds5

About 2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide

2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 154754888) has the molecular formula C14H19N5O3S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide
PubChem CID154754888
Molecular FormulaC14H19N5O3S2
Molecular Weight369.47 g/mol
Exact Mass369.09
IUPAC Name2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NC2CCCN(c3ncc[nH]c3=O)C2)s1
InChIInChI=1S/C14H19N5O3S2/c1-2-11-17-8-12(23-11)24(21,22)18-10-4-3-7-19(9-10)13-14(20)16-6-5-15-13/h5-6,8,10,18H,2-4,7,9H2,1H3,(H,16,20)
InChIKeyWMYJLSSNDTUDFF-UHFFFAOYSA-N
XLogP0.74
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide (CID 154754888) is 2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NC2CCCN(c3ncc[nH]c3=O)C2)s1.
What is the InChIKey of 2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is WMYJLSSNDTUDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S2/c1-2-11-17-8-12(23-11)24(21,22)18-10-4-3-7-19(9-10)13-14(20)16-6-5-15-13/h5-6,8,10,18H,2-4,7,9H2,1H3,(H,16,20).
What are the key properties of 2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide?
2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 369.47 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 154754888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).