1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone

C18H23N3OS — CID 124691937

IUPAC1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCc1cccc(-c2nc(CC(=O)N3CC[C@H](N)C[C@@H]3C)cs2)c1
InChIInChI=1S/C18H23N3OS/c1-12-4-3-5-14(8-12)18-20-16(11-23-18)10-17(22)21-7-6-15(19)9-13(21)2/h3-5,8,11,13,15H,6-7,9-10,19H2,1-2H3/t13-,15-/m0/s1
InChIKeyCGTHKYDEFARHBT-ZFWWWQNUSA-N
MW329.47 g/mol
LogP3.00
Rot. Bonds3

About 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone

1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone (PubChem CID 124691937) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
PubChem CID124691937
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
SMILESCc1cccc(-c2nc(CC(=O)N3CC[C@H](N)C[C@@H]3C)cs2)c1
InChIInChI=1S/C18H23N3OS/c1-12-4-3-5-14(8-12)18-20-16(11-23-18)10-17(22)21-7-6-15(19)9-13(21)2/h3-5,8,11,13,15H,6-7,9-10,19H2,1-2H3/t13-,15-/m0/s1
InChIKeyCGTHKYDEFARHBT-ZFWWWQNUSA-N
XLogP3.00
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone with MolForge

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Related Compounds

1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99607444
N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 78857638
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119580568
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
1-(4-amino-2-methylpiperidin-1-yl)-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]ethanone
CID 122149082
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119596548
1-(4-aminopiperidin-1-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119372925
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110333425
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 124691222
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one
CID 110333427
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27041100

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone (CID 124691937) is 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone is Cc1cccc(-c2nc(CC(=O)N3CC[C@H](N)C[C@@H]3C)cs2)c1.
What is the InChIKey of 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is CGTHKYDEFARHBT-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-4-3-5-14(8-12)18-20-16(11-23-18)10-17(22)21-7-6-15(19)9-13(21)2/h3-5,8,11,13,15H,6-7,9-10,19H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone?
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 329.47 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 124691937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).