[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride

C12H20ClN3OS — CID 119791905

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCC1CC(C)CN1C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-3-9-4-8(2)6-15(9)12(16)10-7-17-11(5-13)14-10;/h7-9H,3-6,13H2,1-2H3;1H
InChIKeyRCLHRIFHDOLRHL-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.28
Rot. Bonds3

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 119791905) has the molecular formula C12H20ClN3OS and a molecular weight of 289.83 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID119791905
Molecular FormulaC12H20ClN3OS
Molecular Weight289.83 g/mol
Exact Mass289.10
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCC1CC(C)CN1C(=O)c1csc(CN)n1.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-3-9-4-8(2)6-15(9)12(16)10-7-17-11(5-13)14-10;/h7-9H,3-6,13H2,1-2H3;1H
InChIKeyRCLHRIFHDOLRHL-UHFFFAOYSA-N
XLogP2.28
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593147
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethylthiomorpholin-4-yl)methanone;hydrochloride
CID 119791769
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
[4-(aminomethyl)phenyl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328231
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 66378244
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120624999
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119774202
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2,6-dimethylazepan-1-yl)methanone;hydrochloride
CID 120634134
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;hydrochloride
CID 119694088
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 119797155
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride
CID 120625314

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride (CID 119791905) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride is CCC1CC(C)CN1C(=O)c1csc(CN)n1.Cl.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is RCLHRIFHDOLRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.ClH/c1-3-9-4-8(2)6-15(9)12(16)10-7-17-11(5-13)14-10;/h7-9H,3-6,13H2,1-2H3;1H.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 289.83 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119791905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).