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

C14H25N3S — CID 63847833

IUPACN-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1CCc1scnc1C
InChIInChI=1S/C14H25N3S/c1-3-15-10-13-6-4-5-8-17(13)9-7-14-12(2)16-11-18-14/h11,13,15H,3-10H2,1-2H3
InChIKeyJEJASKNZKUEEPB-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.46
Rot. Bonds6

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

N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine (PubChem CID 63847833) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine
PubChem CID63847833
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1CCc1scnc1C
InChIInChI=1S/C14H25N3S/c1-3-15-10-13-6-4-5-8-17(13)9-7-14-12(2)16-11-18-14/h11,13,15H,3-10H2,1-2H3
InChIKeyJEJASKNZKUEEPB-UHFFFAOYSA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 63854611
ethyl 1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-2-carboxylate
CID 78997614
2-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339519
[4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine
CID 103441803
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 65446383
methyl 2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]acetate
CID 84593667
N-[[1-(2-pyrazol-1-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 55220183
5-[2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 102681662
[4-methoxy-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine
CID 112622641
N,N-diethyl-2-[2-(ethylaminomethyl)piperidin-1-yl]ethanamine
CID 63847288
N-[[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 107043580
tert-butyl (2R)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-2-carboxylate
CID 80710247

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine (CID 63847833) is N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1CCc1scnc1C.
What is the InChIKey of N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine?
The InChIKey is JEJASKNZKUEEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-15-10-13-6-4-5-8-17(13)9-7-14-12(2)16-11-18-14/h11,13,15H,3-10H2,1-2H3.
What are the key properties of N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine?
N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 63847833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).