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

C13H23N3S — CID 54913507

IUPAC1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNC(C)C2CCCN(C)C2)n1
InChIInChI=1S/C13H23N3S/c1-10-9-17-13(15-10)7-14-11(2)12-5-4-6-16(3)8-12/h9,11-12,14H,4-8H2,1-3H3
InChIKeyIHJASVSATQNRAZ-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.27
Rot. Bonds4

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

1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 54913507) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID54913507
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNC(C)C2CCCN(C)C2)n1
InChIInChI=1S/C13H23N3S/c1-10-9-17-13(15-10)7-14-11(2)12-5-4-6-16(3)8-12/h9,11-12,14H,4-8H2,1-3H3
InChIKeyIHJASVSATQNRAZ-UHFFFAOYSA-N
XLogP2.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidin-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 62323527
1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55172444
1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 114274441
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82881755
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 113429636
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43307908
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 78992450
N,N-dimethyl-4-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]aniline
CID 43308440
(1R)-1-[(3R)-1-cyclobutylpiperidin-3-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 97348118
N-[(3-fluorophenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308668
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
CID 115691306

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 54913507) is 1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is Cc1csc(CNC(C)C2CCCN(C)C2)n1.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is IHJASVSATQNRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10-9-17-13(15-10)7-14-11(2)12-5-4-6-16(3)8-12/h9,11-12,14H,4-8H2,1-3H3.
What are the key properties of 1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 54913507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).