(4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone

C11H18N4OS — CID 124569786

IUPAC(4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@H]1CNC
InChIInChI=1S/C11H18N4OS/c1-3-9-10(17-14-13-9)11(16)15-6-4-5-8(15)7-12-2/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyGPTWPFLVPZHFQX-QMMMGPOBSA-N
MW254.36 g/mol
LogP0.92
Rot. Bonds4

About (4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 124569786) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID124569786
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name(4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CCC[C@H]1CNC
InChIInChI=1S/C11H18N4OS/c1-3-9-10(17-14-13-9)11(16)15-6-4-5-8(15)7-12-2/h8,12H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyGPTWPFLVPZHFQX-QMMMGPOBSA-N
XLogP0.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649161
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 115316269
3-amino-N-[[1-(4-ethylthiadiazole-5-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579438
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 79028325
(4-ethylthiadiazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543322
[2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 81485187
methyl (2R)-1-(4-ethylthiadiazole-5-carbonyl)piperidine-2-carboxylate
CID 79833093
(3-ethyl-1-methylpyrazol-4-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 102811060
[2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 65209829
(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-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124940608
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide
CID 77059648

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 124569786) is (4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone is CCc1nnsc1C(=O)N1CCC[C@H]1CNC.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GPTWPFLVPZHFQX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-9-10(17-14-13-9)11(16)15-6-4-5-8(15)7-12-2/h8,12H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 254.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124569786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).