(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C15H21N5OS — CID 95402249

IUPAC(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C15H21N5OS/c1-2-13-14(22-18-17-13)15(21)20-10-4-3-6-12(20)7-11-19-9-5-8-16-19/h5,8-9,12H,2-4,6-7,10-11H2,1H3/t12-/m1/s1
InChIKeyBZNIVBSRAZPACO-GFCCVEGCSA-N
MW319.43 g/mol
LogP2.38
Rot. Bonds5

About (4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 95402249) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID95402249
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C15H21N5OS/c1-2-13-14(22-18-17-13)15(21)20-10-4-3-6-12(20)7-11-19-9-5-8-16-19/h5,8-9,12H,2-4,6-7,10-11H2,1H3/t12-/m1/s1
InChIKeyBZNIVBSRAZPACO-GFCCVEGCSA-N
XLogP2.38
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 95402249) is (4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCCC[C@@H]1CCn1cccn1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is BZNIVBSRAZPACO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-2-13-14(22-18-17-13)15(21)20-10-4-3-6-12(20)7-11-19-9-5-8-16-19/h5,8-9,12H,2-4,6-7,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 319.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95402249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).