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

C12H21N3S — CID 63829717

IUPACN-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESCN1CCCCC1CNCCc1cscn1
InChIInChI=1S/C12H21N3S/c1-15-7-3-2-4-12(15)8-13-6-5-11-9-16-10-14-11/h9-10,12-13H,2-8H2,1H3
InChIKeyOVOZBJZHSOWNBX-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.76
Rot. Bonds5

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

N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 63829717) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID63829717
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESCN1CCCCC1CNCCc1cscn1
InChIInChI=1S/C12H21N3S/c1-15-7-3-2-4-12(15)8-13-6-5-11-9-16-10-14-11/h9-10,12-13H,2-8H2,1H3
InChIKeyOVOZBJZHSOWNBX-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830953
N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63823778
N-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103001171
N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 82835172
1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 63829174
N-(oxan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63831696
tert-butyl 4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103730250
N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830252
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829903
N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
CID 62657344
2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine
CID 102627895
N-[(1-methylpiperidin-2-yl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63061772

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine (CID 63829717) is N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine is CN1CCCCC1CNCCc1cscn1.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is OVOZBJZHSOWNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-15-7-3-2-4-12(15)8-13-6-5-11-9-16-10-14-11/h9-10,12-13H,2-8H2,1H3.
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 239.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 63829717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).