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

C13H23N3S — CID 55175411

IUPAC1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCC(NCCc1nccs1)C1CCN(C)CC1
InChIInChI=1S/C13H23N3S/c1-11(12-4-8-16(2)9-5-12)14-6-3-13-15-7-10-17-13/h7,10-12,14H,3-6,8-9H2,1-2H3
InChIKeyLICZRYHOKDPSBJ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.01
Rot. Bonds5

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

1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 55175411) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID55175411
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCC(NCCc1nccs1)C1CCN(C)CC1
InChIInChI=1S/C13H23N3S/c1-11(12-4-8-16(2)9-5-12)14-6-3-13-15-7-10-17-13/h7,10-12,14H,3-6,8-9H2,1-2H3
InChIKeyLICZRYHOKDPSBJ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-propylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 55175412
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine
CID 65075080
1-cyclobutyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115715095
(1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81384667
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 113262339
1-(1-methylpiperidin-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104584745
1-(4-propan-2-ylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 63242464
2-[1-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 43308736
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308377
3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 103561913
2-(1-methylpiperidin-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115614958
N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 63292117

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine (CID 55175411) is 1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine is CC(NCCc1nccs1)C1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is LICZRYHOKDPSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11(12-4-8-16(2)9-5-12)14-6-3-13-15-7-10-17-13/h7,10-12,14H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 55175411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).