(4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone

C14H17N5OS — CID 124954325

IUPAC(4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@@H]1c1cncc(C)n1
InChIInChI=1S/C14H17N5OS/c1-3-10-13(21-18-17-10)14(20)19-6-4-5-12(19)11-8-15-7-9(2)16-11/h7-8,12H,3-6H2,1-2H3/t12-/m1/s1
InChIKeyFBWDJSAAGLDXMC-GFCCVEGCSA-N
MW303.39 g/mol
LogP2.18
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 124954325) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID124954325
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name(4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@@H]1c1cncc(C)n1
InChIInChI=1S/C14H17N5OS/c1-3-10-13(21-18-17-10)14(20)19-6-4-5-12(19)11-8-15-7-9(2)16-11/h7-8,12H,3-6H2,1-2H3/t12-/m1/s1
InChIKeyFBWDJSAAGLDXMC-GFCCVEGCSA-N
XLogP2.18
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124940608
(4-ethylthiadiazol-5-yl)-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 125020486
(4-ethylthiadiazol-5-yl)-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]methanone
CID 124966464
1-benzothiophen-2-yl-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 110114137
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 51594322
2-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]acetamide
CID 95821390
(4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649161
(4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569786
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 90564253
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 125026523
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 124966275
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124997340

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone (CID 124954325) is (4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCC[C@@H]1c1cncc(C)n1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FBWDJSAAGLDXMC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-3-10-13(21-18-17-10)14(20)19-6-4-5-12(19)11-8-15-7-9(2)16-11/h7-8,12H,3-6H2,1-2H3/t12-/m1/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 303.39 g/mol, XLogP of 2.18, 3 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-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124954325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).