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

C10H16N4OS — CID 115316269

IUPAC[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCNCC1CCCN1C(=O)c1snnc1C
InChIInChI=1S/C10H16N4OS/c1-7-9(16-13-12-7)10(15)14-5-3-4-8(14)6-11-2/h8,11H,3-6H2,1-2H3
InChIKeyFGKMZUVYLGIWGF-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.67
Rot. Bonds3

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

[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 115316269) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is [2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID115316269
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCNCC1CCCN1C(=O)c1snnc1C
InChIInChI=1S/C10H16N4OS/c1-7-9(16-13-12-7)10(15)14-5-3-4-8(14)6-11-2/h8,11H,3-6H2,1-2H3
InChIKeyFGKMZUVYLGIWGF-UHFFFAOYSA-N
XLogP0.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.67
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
(4-ethylthiadiazol-5-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649161
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119649171
[2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
CID 81485187
1-(4-fluorophenyl)-2-[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]ethanone
CID 124623314
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone;hydrochloride
CID 119652152
[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 99796063
6-cyclopropyl-2-[[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923404
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651049
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103807648
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 115316280
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 79028325

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 115316269) is [2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is CNCC1CCCN1C(=O)c1snnc1C.
What is the InChIKey of [2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is FGKMZUVYLGIWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7-9(16-13-12-7)10(15)14-5-3-4-8(14)6-11-2/h8,11H,3-6H2,1-2H3.
What are the key properties of [2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 240.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 115316269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).