4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide

C14H18N6O2S — CID 129473453

IUPAC4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C14H18N6O2S/c1-2-10-11(23-19-18-10)13(21)17-9-4-3-7-20(8-9)12-14(22)16-6-5-15-12/h5-6,9H,2-4,7-8H2,1H3,(H,16,22)(H,17,21)/t9-/m1/s1
InChIKeyAFMXMWKYPVMKBW-SECBINFHSA-N
MW334.41 g/mol
LogP0.58
Rot. Bonds4

About 4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide

4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide (PubChem CID 129473453) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide
PubChem CID129473453
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C14H18N6O2S/c1-2-10-11(23-19-18-10)13(21)17-9-4-3-7-20(8-9)12-14(22)16-6-5-15-12/h5-6,9H,2-4,7-8H2,1H3,(H,16,22)(H,17,21)/t9-/m1/s1
InChIKeyAFMXMWKYPVMKBW-SECBINFHSA-N
XLogP0.58
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide (CID 129473453) is 4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N[C@@H]1CCCN(c2ncc[nH]c2=O)C1.
What is the InChIKey of 4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide?
The InChIKey is AFMXMWKYPVMKBW-SECBINFHSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-2-10-11(23-19-18-10)13(21)17-9-4-3-7-20(8-9)12-14(22)16-6-5-15-12/h5-6,9H,2-4,7-8H2,1H3,(H,16,22)(H,17,21)/t9-/m1/s1.
What are the key properties of 4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide?
4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 129473453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).