4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide

C14H18N6O2S — CID 124961462

IUPAC4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC[C@@]1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C14H18N6O2S/c1-2-10-12(23-19-18-10)13(21)17-8-14(22)3-6-20(9-14)11-7-15-4-5-16-11/h4-5,7,22H,2-3,6,8-9H2,1H3,(H,17,21)/t14-/m0/s1
InChIKeyHBSBUSXYAGBKEJ-AWEZNQCLSA-N
MW334.41 g/mol
LogP0.26
Rot. Bonds5

About 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 124961462) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide
PubChem CID124961462
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC[C@@]1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C14H18N6O2S/c1-2-10-12(23-19-18-10)13(21)17-8-14(22)3-6-20(9-14)11-7-15-4-5-16-11/h4-5,7,22H,2-3,6,8-9H2,1H3,(H,17,21)/t14-/m0/s1
InChIKeyHBSBUSXYAGBKEJ-AWEZNQCLSA-N
XLogP0.26
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide (CID 124961462) is 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC[C@@]1(O)CCN(c2cnccn2)C1.
What is the InChIKey of 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is HBSBUSXYAGBKEJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-2-10-12(23-19-18-10)13(21)17-8-14(22)3-6-20(9-14)11-7-15-4-5-16-11/h4-5,7,22H,2-3,6,8-9H2,1H3,(H,17,21)/t14-/m0/s1.
What are the key properties of 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 124961462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).