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

C14H22N2OS — CID 114425842

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone
SMILESCCC1CCNC(CC(=O)c2sc(C)nc2C)C1
InChIInChI=1S/C14H22N2OS/c1-4-11-5-6-15-12(7-11)8-13(17)14-9(2)16-10(3)18-14/h11-12,15H,4-8H2,1-3H3
InChIKeyUDTDHYACYLGJRD-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.11
Rot. Bonds4

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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone (PubChem CID 114425842) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone
PubChem CID114425842
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone
SMILESCCC1CCNC(CC(=O)c2sc(C)nc2C)C1
InChIInChI=1S/C14H22N2OS/c1-4-11-5-6-15-12(7-11)8-13(17)14-9(2)16-10(3)18-14/h11-12,15H,4-8H2,1-3H3
InChIKeyUDTDHYACYLGJRD-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine
CID 114430915
1-(4-ethylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425722
1-(2,5-difluoro-4-methylphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425879
1-(4-ethoxyphenyl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425688
methyl 3-(4-ethylpiperidin-2-yl)-2-oxopropanoate
CID 114425893
2-(4-ethylpiperidin-2-yl)-1-(4-propoxyphenyl)ethanone
CID 114425653
2-(4-ethylpiperidin-2-yl)-1-(4-propan-2-yloxyphenyl)ethanone
CID 114425650
2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 114429032
N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106052624
3-[2-(4-ethylpiperidin-2-yl)acetyl]benzonitrile
CID 114425849
2-(4-ethylpiperidin-2-yl)-1-(3-nitrophenyl)ethanone
CID 114425770
1-(4-ethylpiperidin-2-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 114430985

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone (CID 114425842) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone is CCC1CCNC(CC(=O)c2sc(C)nc2C)C1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone?
The InChIKey is UDTDHYACYLGJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-11-5-6-15-12(7-11)8-13(17)14-9(2)16-10(3)18-14/h11-12,15H,4-8H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone has a molecular weight of 266.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone is sourced from PubChem (CID 114425842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).