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

C11H19ClN4OS — CID 119649161

IUPAC(4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCCc1nnsc1C(=O)N1CCCC1CNC.Cl
InChIInChI=1S/C11H18N4OS.ClH/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;1H
InChIKeyBMGAYWGCEVRBEM-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.35
Rot. Bonds4

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

(4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119649161) has the molecular formula C11H19ClN4OS and a molecular weight of 290.82 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119649161
Molecular FormulaC11H19ClN4OS
Molecular Weight290.82 g/mol
Exact Mass290.10
IUPAC Name(4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCCc1nnsc1C(=O)N1CCCC1CNC.Cl
InChIInChI=1S/C11H18N4OS.ClH/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;1H
InChIKeyBMGAYWGCEVRBEM-UHFFFAOYSA-N
XLogP1.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylthiadiazol-5-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124569786
[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)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119649161) is (4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is CCc1nnsc1C(=O)N1CCCC1CNC.Cl.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is BMGAYWGCEVRBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS.ClH/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;1H.
What are the key properties of (4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride?
(4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.35, 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)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119649161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).