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

C13H20N2OS — CID 53016834

IUPAC1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2nc(CC)cs2)C1
InChIInChI=1S/C13H20N2OS/c1-3-11-9-17-13(14-11)10-6-5-7-15(8-10)12(16)4-2/h9-10H,3-8H2,1-2H3
InChIKeyGVABEBDMMDZEIY-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.82
Rot. Bonds3

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

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 53016834) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID53016834
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2nc(CC)cs2)C1
InChIInChI=1S/C13H20N2OS/c1-3-11-9-17-13(14-11)10-6-5-7-15(8-10)12(16)4-2/h9-10H,3-8H2,1-2H3
InChIKeyGVABEBDMMDZEIY-UHFFFAOYSA-N
XLogP2.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.82
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
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
2-Ethyl-6-[3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 72124080

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 53016834) is 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(c2nc(CC)cs2)C1.
What is the InChIKey of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GVABEBDMMDZEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-3-11-9-17-13(14-11)10-6-5-7-15(8-10)12(16)4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 252.38 g/mol, XLogP of 2.82, 3 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]propan-1-one is sourced from PubChem (CID 53016834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).