N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

C13H22N4OS — CID 43556565

IUPACN-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CN2CCC(N)CC2)cs1
InChIInChI=1S/C13H22N4OS/c1-3-17(10(2)18)13-15-12(9-19-13)8-16-6-4-11(14)5-7-16/h9,11H,3-8,14H2,1-2H3
InChIKeyDOGVCPUSZATYRL-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.44
Rot. Bonds4

About N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide

N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (PubChem CID 43556565) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
PubChem CID43556565
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1nc(CN2CCC(N)CC2)cs1
InChIInChI=1S/C13H22N4OS/c1-3-17(10(2)18)13-15-12(9-19-13)8-16-6-4-11(14)5-7-16/h9,11H,3-8,14H2,1-2H3
InChIKeyDOGVCPUSZATYRL-UHFFFAOYSA-N
XLogP1.44
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62062023
N-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106672998
N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride
CID 120660844
N-ethyl-N-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 29440898
N-ethyl-N-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 115874190
N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 35015644
N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 47054184
N-ethyl-N-[4-[[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 97028668
N-cyclopropyl-N-[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 111336050
N-ethyl-N-[4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 71878560
N-ethyl-N-[4-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95570889
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The IUPAC name of N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide (CID 43556565) is N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is CCN(C(C)=O)c1nc(CN2CCC(N)CC2)cs1.
What is the InChIKey of N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
The InChIKey is DOGVCPUSZATYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-17(10(2)18)13-15-12(9-19-13)8-16-6-4-11(14)5-7-16/h9,11H,3-8,14H2,1-2H3.
What are the key properties of N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide?
N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide has a molecular weight of 282.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide is sourced from PubChem (CID 43556565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).