2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole

C23H27N3O4S2 — CID 30463697

IUPAC2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)cs3)CC2)cc1
InChIInChI=1S/C23H27N3O4S2/c1-3-30-20-8-10-21(11-9-20)32(27,28)26-14-12-25(13-15-26)16-23-24-22(17-31-23)18-4-6-19(29-2)7-5-18/h4-11,17H,3,12-16H2,1-2H3
InChIKeyDIFBORMOZIANST-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.72
Rot. Bonds8

About 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole

2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 30463697) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
PubChem CID30463697
Molecular FormulaC23H27N3O4S2
Molecular Weight473.62 g/mol
Exact Mass473.14
IUPAC Name2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)cs3)CC2)cc1
InChIInChI=1S/C23H27N3O4S2/c1-3-30-20-8-10-21(11-9-20)32(27,28)26-14-12-25(13-15-26)16-23-24-22(17-31-23)18-4-6-19(29-2)7-5-18/h4-11,17H,3,12-16H2,1-2H3
InChIKeyDIFBORMOZIANST-UHFFFAOYSA-N
XLogP3.72
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 25191881
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463647
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463638
2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463674
4-tert-butyl-2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 30463429
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463718
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463720
2-[[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463699
2-[[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463732
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
CID 30463446
1-[4-[[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone
CID 60603912

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole (CID 30463697) is 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole is CCOc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(OC)cc4)cs3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is DIFBORMOZIANST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c1-3-30-20-8-10-21(11-9-20)32(27,28)26-14-12-25(13-15-26)16-23-24-22(17-31-23)18-4-6-19(29-2)7-5-18/h4-11,17H,3,12-16H2,1-2H3.
What are the key properties of 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole?
2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 473.62 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 30463697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).