[(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

C19H23N3OS — CID 136582472

IUPAC[(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESC/C(=C\c1ccccc1)CN1CCN(C(=O)c2cscn2)[C@@H](C)C1
InChIInChI=1S/C19H23N3OS/c1-15(10-17-6-4-3-5-7-17)11-21-8-9-22(16(2)12-21)19(23)18-13-24-14-20-18/h3-7,10,13-14,16H,8-9,11-12H2,1-2H3/b15-10+/t16-/m0/s1
InChIKeyVDOYOXCTZOYDQR-KMPOOHAWSA-N
MW341.48 g/mol
LogP3.39
Rot. Bonds4

About [(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

[(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 136582472) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is [(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID136582472
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name[(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESC/C(=C\c1ccccc1)CN1CCN(C(=O)c2cscn2)[C@@H](C)C1
InChIInChI=1S/C19H23N3OS/c1-15(10-17-6-4-3-5-7-17)11-21-8-9-22(16(2)12-21)19(23)18-13-24-14-20-18/h3-7,10,13-14,16H,8-9,11-12H2,1-2H3/b15-10+/t16-/m0/s1
InChIKeyVDOYOXCTZOYDQR-KMPOOHAWSA-N
XLogP3.39
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-phenyl-4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 124976976
[(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146108957
[(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146092459
[(2S)-2-methyl-4-[2-(oxolan-3-yloxy)ethyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146138849
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110854625
4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
CID 175658374
[(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136582634
(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981090
1-(2-methyl-3-phenylprop-2-enyl)piperidin-3-ol
CID 127265628
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazine
CID 138042151
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 55142862
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 136582472) is [(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is C/C(=C\c1ccccc1)CN1CCN(C(=O)c2cscn2)[C@@H](C)C1.
What is the InChIKey of [(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is VDOYOXCTZOYDQR-KMPOOHAWSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-15(10-17-6-4-3-5-7-17)11-21-8-9-22(16(2)12-21)19(23)18-13-24-14-20-18/h3-7,10,13-14,16H,8-9,11-12H2,1-2H3/b15-10+/t16-/m0/s1.
What are the key properties of [(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 341.48 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 136582472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).