[2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone

C12H19N3OS — CID 103805490

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCCCC2C(C)N)s1
InChIInChI=1S/C12H19N3OS/c1-8(13)10-5-3-4-6-15(10)12(16)11-7-14-9(2)17-11/h7-8,10H,3-6,13H2,1-2H3
InChIKeyUPUDLUZHBSBYLH-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.79
Rot. Bonds2

About [2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 103805490) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
PubChem CID103805490
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCCCC2C(C)N)s1
InChIInChI=1S/C12H19N3OS/c1-8(13)10-5-3-4-6-15(10)12(16)11-7-14-9(2)17-11/h7-8,10H,3-6,13H2,1-2H3
InChIKeyUPUDLUZHBSBYLH-UHFFFAOYSA-N
XLogP1.79
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119436403
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 55169920
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(2-bromo-5-methylthiophen-3-yl)methanone
CID 125134854
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
[2-(1-aminoethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80745111
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 119435141
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 124516853
[2-(1-aminoethyl)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 65204638
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 124569378

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone (CID 103805490) is [2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone is Cc1ncc(C(=O)N2CCCCC2C(C)N)s1.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is UPUDLUZHBSBYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(13)10-5-3-4-6-15(10)12(16)11-7-14-9(2)17-11/h7-8,10H,3-6,13H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 253.37 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 103805490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).