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

C12H21N3S — CID 107069255

IUPACN-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCC1CCCNC1CNCCc1nccs1
InChIInChI=1S/C12H21N3S/c1-10-3-2-5-14-11(10)9-13-6-4-12-15-7-8-16-12/h7-8,10-11,13-14H,2-6,9H2,1H3
InChIKeyHRBYUIGFLOEPDE-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.66
Rot. Bonds5

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

N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 107069255) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID107069255
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCC1CCCNC1CNCCc1nccs1
InChIInChI=1S/C12H21N3S/c1-10-3-2-5-14-11(10)9-13-6-4-12-15-7-8-16-12/h7-8,10-11,13-14H,2-6,9H2,1H3
InChIKeyHRBYUIGFLOEPDE-UHFFFAOYSA-N
XLogP1.66
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 102776004
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 107068174
2-(furan-2-yl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine
CID 107069094
N-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 63240745
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745631
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]thian-3-amine
CID 79957326
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 115442731
N-ethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
CID 66259347
N-[(3-ethylthiophen-2-yl)methyl]-1-(3-methylpyrrolidin-2-yl)methanamine
CID 102776135
N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
CID 66256208

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 107069255) is N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is CC1CCCNC1CNCCc1nccs1.
What is the InChIKey of N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is HRBYUIGFLOEPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10-3-2-5-14-11(10)9-13-6-4-12-15-7-8-16-12/h7-8,10-11,13-14H,2-6,9H2,1H3.
What are the key properties of N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 239.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 107069255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).