1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone

C12H18N2OS — CID 116568006

IUPAC1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCCC1(C(=O)Cc2nccs2)CCNCC1
InChIInChI=1S/C12H18N2OS/c1-2-12(3-5-13-6-4-12)10(15)9-11-14-7-8-16-11/h7-8,13H,2-6,9H2,1H3
InChIKeyMPAWBKZWYJAQIS-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.03
Rot. Bonds4

About 1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone

1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 116568006) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID116568006
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCCC1(C(=O)Cc2nccs2)CCNCC1
InChIInChI=1S/C12H18N2OS/c1-2-12(3-5-13-6-4-12)10(15)9-11-14-7-8-16-11/h7-8,13H,2-6,9H2,1H3
InChIKeyMPAWBKZWYJAQIS-UHFFFAOYSA-N
XLogP2.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone
CID 116568033
3-ethyl-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140720
1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 103450798
1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116706920
1-(1-aminocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116550466
1-(1-ethylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789251
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570281
(3-bromothiophen-2-yl)-(4-ethylpiperidin-4-yl)methanone
CID 116568008
3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 55176192
1-(1,3-thiazol-2-yl)pentan-2-one
CID 63199328
1-(1-morpholin-4-ylcyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79825005
4-ethyl-N-(1,3-thiazol-2-ylmethyl)oxane-4-carboxamide
CID 146131397

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone (CID 116568006) is 1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone is CCC1(C(=O)Cc2nccs2)CCNCC1.
What is the InChIKey of 1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is MPAWBKZWYJAQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-12(3-5-13-6-4-12)10(15)9-11-14-7-8-16-11/h7-8,13H,2-6,9H2,1H3.
What are the key properties of 1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone?
1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 238.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-4-yl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116568006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).