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

C9H14N4OS — CID 81485187

IUPAC[2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESCNCC1CCCN1C(=O)c1cnns1
InChIInChI=1S/C9H14N4OS/c1-10-5-7-3-2-4-13(7)9(14)8-6-11-12-15-8/h6-7,10H,2-5H2,1H3
InChIKeyCLOJMWNVCILTRU-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.36
Rot. Bonds3

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

[2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone (PubChem CID 81485187) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is [2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
PubChem CID81485187
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESCNCC1CCCN1C(=O)c1cnns1
InChIInChI=1S/C9H14N4OS/c1-10-5-7-3-2-4-13(7)9(14)8-6-11-12-15-8/h6-7,10H,2-5H2,1H3
InChIKeyCLOJMWNVCILTRU-UHFFFAOYSA-N
XLogP0.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone;hydrochloride
CID 119652152
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103807648
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 115316269
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119649080
(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-(thiadiazole-5-carbonyl)pyrrolidine-2-carbothioamide
CID 65215460
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
(5-fluoro-3-pyridinyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119649427
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 103352437

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone (CID 81485187) is [2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone is CNCC1CCCN1C(=O)c1cnns1.
What is the InChIKey of [2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is CLOJMWNVCILTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-10-5-7-3-2-4-13(7)9(14)8-6-11-12-15-8/h6-7,10H,2-5H2,1H3.
What are the key properties of [2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone?
[2-(methylaminomethyl)pyrrolidin-1-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 0.36, 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]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 81485187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).