1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

C12H21N3S — CID 78992422

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCCN1CCCC1CNCc1nc(C)cs1
InChIInChI=1S/C12H21N3S/c1-3-15-6-4-5-11(15)7-13-8-12-14-10(2)9-16-12/h9,11,13H,3-8H2,1-2H3
InChIKeyRUTPTNNYOYEKIT-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.03
Rot. Bonds5

About 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 78992422) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID78992422
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCCN1CCCC1CNCc1nc(C)cs1
InChIInChI=1S/C12H21N3S/c1-3-15-6-4-5-11(15)7-13-8-12-14-10(2)9-16-12/h9,11,13H,3-8H2,1-2H3
InChIKeyRUTPTNNYOYEKIT-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine
CID 111263015
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 3157138
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 79313368
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 834575
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104769990
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
1-(4-tert-butylcyclohexyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104574977
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 95319664
N-[(2,5-dimethylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 60657747
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110032561

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 78992422) is 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is CCN1CCCC1CNCc1nc(C)cs1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is RUTPTNNYOYEKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-15-6-4-5-11(15)7-13-8-12-14-10(2)9-16-12/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 239.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 78992422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).