1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine

C11H19N3S — CID 115088128

IUPAC1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(CC2CCNCC2)n1
InChIInChI=1S/C11H19N3S/c1-8(12)10-7-15-11(14-10)6-9-2-4-13-5-3-9/h7-9,13H,2-6,12H2,1H3
InChIKeyJGBWPPBORFYHKG-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.70
Rot. Bonds3

About 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine

1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 115088128) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID115088128
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(CC2CCNCC2)n1
InChIInChI=1S/C11H19N3S/c1-8(12)10-7-15-11(14-10)6-9-2-4-13-5-3-9/h7-9,13H,2-6,12H2,1H3
InChIKeyJGBWPPBORFYHKG-UHFFFAOYSA-N
XLogP1.70
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115088115
4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105464499
2-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115087963
1-[2-(piperidin-4-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082506
1-[2-(piperidin-3-ylmethyl)-1,3-thiazol-4-yl]ethanol
CID 115088902
(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 51898160
1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 115088812
1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64544064
4-(oxan-4-yl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116828968
1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
N-methyl-1-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088010
4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 116968773

Frequently Asked Questions

What is the IUPAC name of 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine (CID 115088128) is 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(CC2CCNCC2)n1.
What is the InChIKey of 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is JGBWPPBORFYHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(12)10-7-15-11(14-10)6-9-2-4-13-5-3-9/h7-9,13H,2-6,12H2,1H3.
What are the key properties of 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 115088128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).