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

C12H18N2OS — CID 63844473

IUPAC1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone
SMILESCCc1csc(N2CCCCC2C(C)=O)n1
InChIInChI=1S/C12H18N2OS/c1-3-10-8-16-12(13-10)14-7-5-4-6-11(14)9(2)15/h8,11H,3-7H2,1-2H3
InChIKeyVTAQMDHVGFSQKB-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.65
Rot. Bonds3

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

1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone (PubChem CID 63844473) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone
PubChem CID63844473
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone
SMILESCCc1csc(N2CCCCC2C(C)=O)n1
InChIInChI=1S/C12H18N2OS/c1-3-10-8-16-12(13-10)14-7-5-4-6-11(14)9(2)15/h8,11H,3-7H2,1-2H3
InChIKeyVTAQMDHVGFSQKB-UHFFFAOYSA-N
XLogP2.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-2-yl]ethanone
CID 79399962
2-[2-(2-methylpiperidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80575363
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 62961398
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 62961582
2-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576345
2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole
CID 131043281
methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
CID 115538300
ethyl 2-[2-(2-ethylpiperidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574752
1-(4-chloro-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 83155605
ethyl 3-[2-(2-methylazepan-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487795
N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62960856
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62961753

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone (CID 63844473) is 1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone is CCc1csc(N2CCCCC2C(C)=O)n1.
What is the InChIKey of 1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone?
The InChIKey is VTAQMDHVGFSQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-10-8-16-12(13-10)14-7-5-4-6-11(14)9(2)15/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone?
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone has a molecular weight of 238.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone is sourced from PubChem (CID 63844473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).