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

C11H19N3OS — CID 63240745

IUPACN-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCOC1CNC(CNCCc2nccs2)C1
InChIInChI=1S/C11H19N3OS/c1-15-10-6-9(14-8-10)7-12-3-2-11-13-4-5-16-11/h4-5,9-10,12,14H,2-3,6-8H2,1H3
InChIKeyIKEQWNNAEGJTKI-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.65
Rot. Bonds6

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

N-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 63240745) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID63240745
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCOC1CNC(CNCCc2nccs2)C1
InChIInChI=1S/C11H19N3OS/c1-15-10-6-9(14-8-10)7-12-3-2-11-13-4-5-16-11/h4-5,9-10,12,14H,2-3,6-8H2,1H3
InChIKeyIKEQWNNAEGJTKI-UHFFFAOYSA-N
XLogP0.65
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 55176000
N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 107069255
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine
CID 61214971
2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 82102654
N-ethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
CID 66259347
N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
CID 66256208
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 63240196
3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 103561913
2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64946674
N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
CID 79823745

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 63240745) is N-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is COC1CNC(CNCCc2nccs2)C1.
What is the InChIKey of N-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is IKEQWNNAEGJTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-15-10-6-9(14-8-10)7-12-3-2-11-13-4-5-16-11/h4-5,9-10,12,14H,2-3,6-8H2,1H3.
What are the key properties of N-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 241.36 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63240745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).