4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole

C25H31N3O2S2 — CID 53117882

IUPAC4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2)cs1
InChIInChI=1S/C25H31N3O2S2/c1-17(2)22-10-9-21(23-16-31-20(5)26-23)15-25(22)32(29,30)28-13-11-27(12-14-28)24-8-6-7-18(3)19(24)4/h6-10,15-17H,11-14H2,1-5H3
InChIKeySIDJNIDGZOVNGE-UHFFFAOYSA-N
MW469.68 g/mol
LogP5.37
Rot. Bonds5

About 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole

4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole (PubChem CID 53117882) has the molecular formula C25H31N3O2S2 and a molecular weight of 469.68 g/mol. Its IUPAC name is 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole
PubChem CID53117882
Molecular FormulaC25H31N3O2S2
Molecular Weight469.68 g/mol
Exact Mass469.19
IUPAC Name4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2)cs1
InChIInChI=1S/C25H31N3O2S2/c1-17(2)22-10-9-21(23-16-31-20(5)26-23)15-25(22)32(29,30)28-13-11-27(12-14-28)24-8-6-7-18(3)19(24)4/h6-10,15-17H,11-14H2,1-5H3
InChIKeySIDJNIDGZOVNGE-UHFFFAOYSA-N
XLogP5.37
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.68
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole
CID 53117960
2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 20974218
4-[4-ethoxy-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-thiazole
CID 53117991
4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-thiazole
CID 20974210
5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methylphenyl]-3-methyl-1,2-oxazole
CID 20934947
5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-methoxyphenyl]-3-methyl-1,2-oxazole
CID 20935061
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
1-(2,3-dimethylphenyl)-4-(1,3-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 6469213
N-methyl-N-(4-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
CID 53036288
N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
CID 53036276
4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole
CID 50844074
2-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-4,5-dimethyl-1,3-thiazole
CID 50835019

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole (CID 53117882) is 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole is Cc1nc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCN(c4cccc(C)c4C)CC3)c2)cs1.
What is the InChIKey of 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole?
The InChIKey is SIDJNIDGZOVNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2S2/c1-17(2)22-10-9-21(23-16-31-20(5)26-23)15-25(22)32(29,30)28-13-11-27(12-14-28)24-8-6-7-18(3)19(24)4/h6-10,15-17H,11-14H2,1-5H3.
What are the key properties of 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole?
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole has a molecular weight of 469.68 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 53117882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).