2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole

C21H23N3O2S2 — CID 20974218

IUPAC2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cs1
InChIInChI=1S/C21H23N3O2S2/c1-16-8-9-18(20-15-27-17(2)22-20)14-21(16)28(25,26)24-12-10-23(11-13-24)19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3
InChIKeyGBRUWZPMECKFDC-UHFFFAOYSA-N
MW413.57 g/mol
LogP3.94
Rot. Bonds4

About 2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole

2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole (PubChem CID 20974218) has the molecular formula C21H23N3O2S2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole
PubChem CID20974218
Molecular FormulaC21H23N3O2S2
Molecular Weight413.57 g/mol
Exact Mass413.12
IUPAC Name2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cs1
InChIInChI=1S/C21H23N3O2S2/c1-16-8-9-18(20-15-27-17(2)22-20)14-21(16)28(25,26)24-12-10-23(11-13-24)19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3
InChIKeyGBRUWZPMECKFDC-UHFFFAOYSA-N
XLogP3.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-thiazole
CID 20974210
2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole
CID 50843856
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-propan-2-ylphenyl]-2-methyl-1,3-thiazole
CID 53117882
4-[4-ethoxy-3-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-1,3-thiazole
CID 53117991
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]phthalazin-1-one
CID 1301285
2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 15560939
[3-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
CID 50823388
4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]-2-methyl-1,3-thiazole
CID 20974298
4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 663895
2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20897639
4-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-2-methyl-1,3-thiazole
CID 50844074

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole (CID 20974218) is 2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole is Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cs1.
What is the InChIKey of 2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole?
The InChIKey is GBRUWZPMECKFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S2/c1-16-8-9-18(20-15-27-17(2)22-20)14-21(16)28(25,26)24-12-10-23(11-13-24)19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of 2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole?
2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole has a molecular weight of 413.57 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole is sourced from PubChem (CID 20974218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).