(2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one

C20H25N3O4S2 — CID 51947148

IUPAC(2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one
SMILESCC(=O)N1CCN(C(=O)[C@@H](C)S(=O)(=O)Cc2csc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C20H25N3O4S2/c1-15(20(25)23-10-8-22(9-11-23)16(2)24)29(26,27)14-18-13-28-19(21-18)12-17-6-4-3-5-7-17/h3-7,13,15H,8-12,14H2,1-2H3/t15-/m1/s1
InChIKeyGEQWDVMUMNCUCB-OAHLLOKOSA-N
MW435.57 g/mol
LogP1.73
Rot. Bonds6

About (2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one

(2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one (PubChem CID 51947148) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one
PubChem CID51947148
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC Name(2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one
SMILESCC(=O)N1CCN(C(=O)[C@@H](C)S(=O)(=O)Cc2csc(Cc3ccccc3)n2)CC1
InChIInChI=1S/C20H25N3O4S2/c1-15(20(25)23-10-8-22(9-11-23)16(2)24)29(26,27)14-18-13-28-19(21-18)12-17-6-4-3-5-7-17/h3-7,13,15H,8-12,14H2,1-2H3/t15-/m1/s1
InChIKeyGEQWDVMUMNCUCB-OAHLLOKOSA-N
XLogP1.73
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one 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

(2S)-1-(4-acetylpiperazin-1-yl)-2-[(2-cyclohexyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one
CID 51947149
3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propanamide
CID 56816685
(2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one
CID 94029184
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
(2S)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 99972085
(2S)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfonyl]-N-phenylpropanamide
CID 51936036
2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(2-hydroxy-5-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 55862525
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119544059
1-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119353808
N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 75520278
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119399469

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one?
The IUPAC name of (2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one (CID 51947148) is (2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one.
What is the SMILES notation for (2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one?
The canonical SMILES for (2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one is CC(=O)N1CCN(C(=O)[C@@H](C)S(=O)(=O)Cc2csc(Cc3ccccc3)n2)CC1.
What is the InChIKey of (2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one?
The InChIKey is GEQWDVMUMNCUCB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c1-15(20(25)23-10-8-22(9-11-23)16(2)24)29(26,27)14-18-13-28-19(21-18)12-17-6-4-3-5-7-17/h3-7,13,15H,8-12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one?
(2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one has a molecular weight of 435.57 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one is sourced from PubChem (CID 51947148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).