[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone

C11H17N3OS — CID 103807648

IUPAC[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCNCC1CCCN1C(=O)c1cnc(C)s1
InChIInChI=1S/C11H17N3OS/c1-8-13-7-10(16-8)11(15)14-5-3-4-9(14)6-12-2/h7,9,12H,3-6H2,1-2H3
InChIKeyBUPYRERLIIMOFD-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.28
Rot. Bonds3

About [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone

[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 103807648) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
PubChem CID103807648
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCNCC1CCCN1C(=O)c1cnc(C)s1
InChIInChI=1S/C11H17N3OS/c1-8-13-7-10(16-8)11(15)14-5-3-4-9(14)6-12-2/h7,9,12H,3-6H2,1-2H3
InChIKeyBUPYRERLIIMOFD-UHFFFAOYSA-N
XLogP1.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-(thiadiazol-5-yl)methanone
CID 81485187
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119650303
(2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97109668
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119649080
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807625
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119649171
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 115316269
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
(1,5-dimethylpyrrol-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484841
(4,5-dibromothiophen-2-yl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 80537519

Frequently Asked Questions

What is the IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (CID 103807648) is [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone is CNCC1CCCN1C(=O)c1cnc(C)s1.
What is the InChIKey of [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is BUPYRERLIIMOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-13-7-10(16-8)11(15)14-5-3-4-9(14)6-12-2/h7,9,12H,3-6H2,1-2H3.
What are the key properties of [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 103807648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).