(2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone

C15H24N2O2S — CID 86843751

IUPAC(2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cnc(C(C)(C)C)s2)C1
InChIInChI=1S/C15H24N2O2S/c1-5-19-11-7-6-8-17(10-11)13(18)12-9-16-14(20-12)15(2,3)4/h9,11H,5-8,10H2,1-4H3
InChIKeyYLZCEXKUNUELAB-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.08
Rot. Bonds3

About (2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone

(2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 86843751) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone
PubChem CID86843751
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cnc(C(C)(C)C)s2)C1
InChIInChI=1S/C15H24N2O2S/c1-5-19-11-7-6-8-17(10-11)13(18)12-9-16-14(20-12)15(2,3)4/h9,11H,5-8,10H2,1-4H3
InChIKeyYLZCEXKUNUELAB-UHFFFAOYSA-N
XLogP3.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-ethoxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 95582789
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375356
3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 47736806
(3-ethoxypiperidin-1-yl)-(2-methylphenyl)methanone
CID 42656402
3-(3-ethoxypiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821760
1-(2-tert-butyl-1,3-thiazole-5-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47892218
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 62076805
1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 124683333
(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 47911164

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone (CID 86843751) is (2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)c2cnc(C(C)(C)C)s2)C1.
What is the InChIKey of (2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is YLZCEXKUNUELAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-19-11-7-6-8-17(10-11)13(18)12-9-16-14(20-12)15(2,3)4/h9,11H,5-8,10H2,1-4H3.
What are the key properties of (2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone?
(2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 296.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-thiazol-5-yl)-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 86843751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).