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

C24H29N3O3S2 — CID 53117960

IUPAC4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole
SMILESCCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H29N3O3S2/c1-5-30-23-10-9-20(21-16-31-19(4)25-21)15-24(23)32(28,29)27-13-11-26(12-14-27)22-8-6-7-17(2)18(22)3/h6-10,15-16H,5,11-14H2,1-4H3
InChIKeyBAYWNMLXBFHHHJ-UHFFFAOYSA-N
MW471.65 g/mol
LogP4.64
Rot. Bonds6

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

4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole (PubChem CID 53117960) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole
PubChem CID53117960
Molecular FormulaC24H29N3O3S2
Molecular Weight471.65 g/mol
Exact Mass471.17
IUPAC Name4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole
SMILESCCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H29N3O3S2/c1-5-30-23-10-9-20(21-16-31-19(4)25-21)15-24(23)32(28,29)27-13-11-26(12-14-27)22-8-6-7-17(2)18(22)3/h6-10,15-16H,5,11-14H2,1-4H3
InChIKeyBAYWNMLXBFHHHJ-UHFFFAOYSA-N
XLogP4.64
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-propan-2-ylphenyl]-2-methyl-1,3-thiazole
CID 53117882
1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 91669913
2-methyl-4-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 20974218
1-(3-chloro-2-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1178575
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-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959
4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-thiazole
CID 20974210
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 53117968
ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 53117908
1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 16644832
N-cyclopentyl-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117946

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole (CID 53117960) is 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole is CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole?
The InChIKey is BAYWNMLXBFHHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-5-30-23-10-9-20(21-16-31-19(4)25-21)15-24(23)32(28,29)27-13-11-26(12-14-27)22-8-6-7-17(2)18(22)3/h6-10,15-16H,5,11-14H2,1-4H3.
What are the key properties of 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole?
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole has a molecular weight of 471.65 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 53117960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).