2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone

C14H22N2OS — CID 116568033

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone
SMILESCCC1(C(=O)Cc2nc(C)c(C)s2)CCNCC1
InChIInChI=1S/C14H22N2OS/c1-4-14(5-7-15-8-6-14)12(17)9-13-16-10(2)11(3)18-13/h15H,4-9H2,1-3H3
InChIKeyHHWSJVREWXCNHQ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.65
Rot. Bonds4

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone (PubChem CID 116568033) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone
PubChem CID116568033
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone
SMILESCCC1(C(=O)Cc2nc(C)c(C)s2)CCNCC1
InChIInChI=1S/C14H22N2OS/c1-4-14(5-7-15-8-6-14)12(17)9-13-16-10(2)11(3)18-13/h15H,4-9H2,1-3H3
InChIKeyHHWSJVREWXCNHQ-UHFFFAOYSA-N
XLogP2.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone (CID 116568033) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone is CCC1(C(=O)Cc2nc(C)c(C)s2)CCNCC1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone?
The InChIKey is HHWSJVREWXCNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-14(5-7-15-8-6-14)12(17)9-13-16-10(2)11(3)18-13/h15H,4-9H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone has a molecular weight of 266.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 116568033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).