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

C14H18N6OS — CID 124940608

IUPAC(4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@@H]1c1cncc(NC)n1
InChIInChI=1S/C14H18N6OS/c1-3-9-13(22-19-18-9)14(21)20-6-4-5-11(20)10-7-16-8-12(15-2)17-10/h7-8,11H,3-6H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyAHLNEOCQPSCLPZ-LLVKDONJSA-N
MW318.41 g/mol
LogP1.91
Rot. Bonds4

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

(4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 124940608) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID124940608
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name(4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@@H]1c1cncc(NC)n1
InChIInChI=1S/C14H18N6OS/c1-3-9-13(22-19-18-9)14(21)20-6-4-5-11(20)10-7-16-8-12(15-2)17-10/h7-8,11H,3-6H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyAHLNEOCQPSCLPZ-LLVKDONJSA-N
XLogP1.91
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-ethylthiadiazol-5-yl)-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 124954325
(4-ethylthiadiazol-5-yl)-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 125020486
(2-cyclopropylpyrimidin-5-yl)-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 127247024
[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127246960
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 175652542
(4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569786
(4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649161
1-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 124986769
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 51594322
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 127246993
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
N-[4-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 127247023

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone (CID 124940608) is (4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCC[C@@H]1c1cncc(NC)n1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is AHLNEOCQPSCLPZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-3-9-13(22-19-18-9)14(21)20-6-4-5-11(20)10-7-16-8-12(15-2)17-10/h7-8,11H,3-6H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 318.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(2R)-2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124940608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).