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

C18H23N3OS — CID 119488489

IUPAC1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCNC1CCCN(C(=O)Cc2csc(-c3ccc(C)cc3)n2)C1
InChIInChI=1S/C18H23N3OS/c1-13-5-7-14(8-6-13)18-20-16(12-23-18)10-17(22)21-9-3-4-15(11-21)19-2/h5-8,12,15,19H,3-4,9-11H2,1-2H3
InChIKeyXZNLGFQJXTVXIJ-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.87
Rot. Bonds4

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

1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 119488489) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
PubChem CID119488489
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCNC1CCCN(C(=O)Cc2csc(-c3ccc(C)cc3)n2)C1
InChIInChI=1S/C18H23N3OS/c1-13-5-7-14(8-6-13)18-20-16(12-23-18)10-17(22)21-9-3-4-15(11-21)19-2/h5-8,12,15,19H,3-4,9-11H2,1-2H3
InChIKeyXZNLGFQJXTVXIJ-UHFFFAOYSA-N
XLogP2.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119492797
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575158
2-(2-tert-butyl-1,3-thiazol-4-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119493816
2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 119489393
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119397745
1-[3-(methylamino)piperidin-1-yl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanone;dihydrochloride
CID 119488324
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119562815
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192
(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371423
(3S)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 29136377
(3R)-1-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxamide
CID 9395795
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119493097

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone (CID 119488489) is 1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone is CNC1CCCN(C(=O)Cc2csc(-c3ccc(C)cc3)n2)C1.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is XZNLGFQJXTVXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-5-7-14(8-6-13)18-20-16(12-23-18)10-17(22)21-9-3-4-15(11-21)19-2/h5-8,12,15,19H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone?
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 329.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 119488489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).