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

C14H26N4S — CID 79313368

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESCCN1CCCC1CN(C)Cc1csc(CNC)n1
InChIInChI=1S/C14H26N4S/c1-4-18-7-5-6-13(18)10-17(3)9-12-11-19-14(16-12)8-15-2/h11,13,15H,4-10H2,1-3H3
InChIKeyJSJCGSWGGGRQHC-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.78
Rot. Bonds7

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

1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine (PubChem CID 79313368) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine
PubChem CID79313368
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESCCN1CCCC1CN(C)Cc1csc(CNC)n1
InChIInChI=1S/C14H26N4S/c1-4-18-7-5-6-13(18)10-17(3)9-12-11-19-14(16-12)8-15-2/h11,13,15H,4-10H2,1-3H3
InChIKeyJSJCGSWGGGRQHC-UHFFFAOYSA-N
XLogP1.78
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79313837
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]methanamine
CID 106906839
1-cyclohexyl-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 62411662
N-[[4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 79313224
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80608789
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]methanamine
CID 79312500
1-(1-ethylpyrrolidin-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 78992422
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62426744
N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62461023
N,2-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 62420743
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120842796

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine (CID 79313368) is 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine is CCN1CCCC1CN(C)Cc1csc(CNC)n1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine?
The InChIKey is JSJCGSWGGGRQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-18-7-5-6-13(18)10-17(3)9-12-11-19-14(16-12)8-15-2/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine has a molecular weight of 282.46 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]methanamine is sourced from PubChem (CID 79313368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).