2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide

C16H27N3OS — CID 86832223

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide
SMILESCCc1nc(CC(=O)NCCCN2CCCC(C)C2)cs1
InChIInChI=1S/C16H27N3OS/c1-3-16-18-14(12-21-16)10-15(20)17-7-5-9-19-8-4-6-13(2)11-19/h12-13H,3-11H2,1-2H3,(H,17,20)
InChIKeyOTDGBHOMMUATEG-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.49
Rot. Bonds7

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide

2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 86832223) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide
PubChem CID86832223
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide
SMILESCCc1nc(CC(=O)NCCCN2CCCC(C)C2)cs1
InChIInChI=1S/C16H27N3OS/c1-3-16-18-14(12-21-16)10-15(20)17-7-5-9-19-8-4-6-13(2)11-19/h12-13H,3-11H2,1-2H3,(H,17,20)
InChIKeyOTDGBHOMMUATEG-UHFFFAOYSA-N
XLogP2.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-[4-(3-methylpiperidin-1-yl)butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119852710
1-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047889
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 82547503
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
N-(3-methoxypropyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386565
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 51092039
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
5,5-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]hexanamide
CID 86889175
2-(diethylsulfamoyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 95351505
2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95331190
2,2-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 94119599
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide (CID 86832223) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide is CCc1nc(CC(=O)NCCCN2CCCC(C)C2)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is OTDGBHOMMUATEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-3-16-18-14(12-21-16)10-15(20)17-7-5-9-19-8-4-6-13(2)11-19/h12-13H,3-11H2,1-2H3,(H,17,20).
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 309.48 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 86832223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).