N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

C13H23N3S — CID 43764830

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCN1CCCC1CNC(C)c1scnc1C
InChIInChI=1S/C13H23N3S/c1-4-16-7-5-6-12(16)8-14-10(2)13-11(3)15-9-17-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyJSXIZSPLLDUVMJ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.59
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 43764830) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID43764830
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCN1CCCC1CNC(C)c1scnc1C
InChIInChI=1S/C13H23N3S/c1-4-16-7-5-6-12(16)8-14-10(2)13-11(3)15-9-17-13/h9-10,12,14H,4-8H2,1-3H3
InChIKeyJSXIZSPLLDUVMJ-UHFFFAOYSA-N
XLogP2.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 43195854
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43768380
N-[(1-ethylpyrrolidin-2-yl)methyl]butan-2-amine
CID 43195916
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64831319
5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64629675
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43195903
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43100978
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115706755
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methylpentan-3-amine
CID 93283182
N-(2-ethylsulfinylethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115718811
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
CID 43764811
1-(1-benzothiophen-2-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]ethanamine
CID 114909627

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 43764830) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is CCN1CCCC1CNC(C)c1scnc1C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is JSXIZSPLLDUVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-16-7-5-6-12(16)8-14-10(2)13-11(3)15-9-17-13/h9-10,12,14H,4-8H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 43764830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).