[2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone

C22H23N3O3S2 — CID 146616910

IUPAC[2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
SMILESCN1CCN(c2ncc(C(=O)c3cccc(S(C)(=O)=O)c3)s2)C(c2ccccc2)C1
InChIInChI=1S/C22H23N3O3S2/c1-24-11-12-25(19(15-24)16-7-4-3-5-8-16)22-23-14-20(29-22)21(26)17-9-6-10-18(13-17)30(2,27)28/h3-10,13-14,19H,11-12,15H2,1-2H3
InChIKeyHXICFDHMAKILJI-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.27
Rot. Bonds5

About [2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone

[2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 146616910) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is [2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID146616910
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC Name[2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
SMILESCN1CCN(c2ncc(C(=O)c3cccc(S(C)(=O)=O)c3)s2)C(c2ccccc2)C1
InChIInChI=1S/C22H23N3O3S2/c1-24-11-12-25(19(15-24)16-7-4-3-5-8-16)22-23-14-20(29-22)21(26)17-9-6-10-18(13-17)30(2,27)28/h3-10,13-14,19H,11-12,15H2,1-2H3
InChIKeyHXICFDHMAKILJI-UHFFFAOYSA-N
XLogP3.27
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)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

[2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146616891
[2-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146571057
[2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146571073
[2-[4-benzyl-3-(hydroxymethyl)piperazin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146617035
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146570881
[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146618078
methyl 3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]sulfonylbenzoate
CID 31765455
[(2R)-2,4-dimethylpiperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 97094162
(3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone
CID 142615632
[2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 142615585
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(3-methylsulfonylphenyl)-(3-propyltriazol-4-yl)methanone
CID 115802353

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone (CID 146616910) is [2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone is CN1CCN(c2ncc(C(=O)c3cccc(S(C)(=O)=O)c3)s2)C(c2ccccc2)C1.
What is the InChIKey of [2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is HXICFDHMAKILJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c1-24-11-12-25(19(15-24)16-7-4-3-5-8-16)22-23-14-20(29-22)21(26)17-9-6-10-18(13-17)30(2,27)28/h3-10,13-14,19H,11-12,15H2,1-2H3.
What are the key properties of [2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
[2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone has a molecular weight of 441.58 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 146616910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).