4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide

C15H20N6O2S — CID 129476266

IUPAC4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C15H20N6O2S/c1-3-11-12(24-19-18-11)14(22)17-10-5-4-7-21(9-10)13-15(23)20(2)8-6-16-13/h6,8,10H,3-5,7,9H2,1-2H3,(H,17,22)/t10-/m0/s1
InChIKeyORXSPKKSSQZJBD-JTQLQIEISA-N
MW348.43 g/mol
LogP0.59
Rot. Bonds4

About 4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide

4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide (PubChem CID 129476266) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide
PubChem CID129476266
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C15H20N6O2S/c1-3-11-12(24-19-18-11)14(22)17-10-5-4-7-21(9-10)13-15(23)20(2)8-6-16-13/h6,8,10H,3-5,7,9H2,1-2H3,(H,17,22)/t10-/m0/s1
InChIKeyORXSPKKSSQZJBD-JTQLQIEISA-N
XLogP0.59
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide (CID 129476266) is 4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1.
What is the InChIKey of 4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide?
The InChIKey is ORXSPKKSSQZJBD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-3-11-12(24-19-18-11)14(22)17-10-5-4-7-21(9-10)13-15(23)20(2)8-6-16-13/h6,8,10H,3-5,7,9H2,1-2H3,(H,17,22)/t10-/m0/s1.
What are the key properties of 4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide?
4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 129476266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).