1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone

C14H23N3OS — CID 43745928

IUPAC1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2nc(C)sc2C)CC1
InChIInChI=1S/C14H23N3OS/c1-9(14-10(2)19-11(3)16-14)15-13-5-7-17(8-6-13)12(4)18/h9,13,15H,5-8H2,1-4H3
InChIKeyZCMSOPUIWZUYAE-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.42
Rot. Bonds3

About 1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone

1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone (PubChem CID 43745928) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone
PubChem CID43745928
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2nc(C)sc2C)CC1
InChIInChI=1S/C14H23N3OS/c1-9(14-10(2)19-11(3)16-14)15-13-5-7-17(8-6-13)12(4)18/h9,13,15H,5-8H2,1-4H3
InChIKeyZCMSOPUIWZUYAE-UHFFFAOYSA-N
XLogP2.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 115753114
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
CID 97209906
1-[4-[1-(5-methylfuran-2-yl)ethylamino]piperidin-1-yl]ethanone
CID 43224710
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
2-cyclopropyl-2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]acetic acid
CID 65059809
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747378
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
(1S)-1-cycloheptyl-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81390319
1-[4-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223361
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
N-(dicyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43204195
1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone
CID 43223288

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone (CID 43745928) is 1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC(C)c2nc(C)sc2C)CC1.
What is the InChIKey of 1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone?
The InChIKey is ZCMSOPUIWZUYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-9(14-10(2)19-11(3)16-14)15-13-5-7-17(8-6-13)12(4)18/h9,13,15H,5-8H2,1-4H3.
What are the key properties of 1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone?
1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone has a molecular weight of 281.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43745928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).