1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C15H24N2OS — CID 53016855

IUPAC1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCc1csc(C2CCCN(C(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C15H24N2OS/c1-5-12-10-19-13(16-12)11-7-6-8-17(9-11)14(18)15(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyCKEBCUSKFCOVRE-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.46
Rot. Bonds2

About 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 53016855) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID53016855
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCc1csc(C2CCCN(C(=O)C(C)(C)C)C2)n1
InChIInChI=1S/C15H24N2OS/c1-5-12-10-19-13(16-12)11-7-6-8-17(9-11)14(18)15(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyCKEBCUSKFCOVRE-UHFFFAOYSA-N
XLogP3.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817856
2-Methyl-1-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 129091785
N,N-diethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 45819395
N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 51099994
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 53513549
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 53521435
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 53525495
N-(1-acetylpiperidin-4-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide
CID 53554580
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 53557253
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 53592083
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 56819149
1-[2-(4-Tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[cyclopropyl(methyl)amino]ethanone
CID 72122321

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 53016855) is 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CCc1csc(C2CCCN(C(=O)C(C)(C)C)C2)n1.
What is the InChIKey of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is CKEBCUSKFCOVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-5-12-10-19-13(16-12)11-7-6-8-17(9-11)14(18)15(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 280.44 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 53016855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).