[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C17H21N3O3S2 — CID 110646062

IUPAC[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cs1
InChIInChI=1S/C17H21N3O3S2/c1-12-4-5-15(10-13(12)2)25(22,23)20-8-6-19(7-9-20)17(21)16-11-24-14(3)18-16/h4-5,10-11H,6-9H2,1-3H3
InChIKeyQALZKUFBHHHMTF-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.22
Rot. Bonds3

About [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 110646062) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID110646062
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cs1
InChIInChI=1S/C17H21N3O3S2/c1-12-4-5-15(10-13(12)2)25(22,23)20-8-6-19(7-9-20)17(21)16-11-24-14(3)18-16/h4-5,10-11H,6-9H2,1-3H3
InChIKeyQALZKUFBHHHMTF-UHFFFAOYSA-N
XLogP2.22
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 16594162
(1-chloroisoquinolin-3-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55666498
2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 51126593
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 16582702
[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110646082
[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646192
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 27562943
(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27562835
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 9327033
4-(3,4-dimethylphenyl)sulfonylpiperazin-1-amine
CID 82305650
(3-aminophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119678940

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 110646062) is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cs1.
What is the InChIKey of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is QALZKUFBHHHMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-12-4-5-15(10-13(12)2)25(22,23)20-8-6-19(7-9-20)17(21)16-11-24-14(3)18-16/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 379.51 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110646062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).