[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone

C16H19N3O5S2 — CID 110646198

IUPAC[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cscn3)CC2)c1
InChIInChI=1S/C16H19N3O5S2/c1-23-12-3-4-14(24-2)15(9-12)26(21,22)19-7-5-18(6-8-19)16(20)13-10-25-11-17-13/h3-4,9-11H,5-8H2,1-2H3
InChIKeyKMEHLMOWJNRDRM-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.31
Rot. Bonds5

About [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone

[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 110646198) has the molecular formula C16H19N3O5S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID110646198
Molecular FormulaC16H19N3O5S2
Molecular Weight397.48 g/mol
Exact Mass397.08
IUPAC Name[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cscn3)CC2)c1
InChIInChI=1S/C16H19N3O5S2/c1-23-12-3-4-14(24-2)15(9-12)26(21,22)19-7-5-18(6-8-19)16(20)13-10-25-11-17-13/h3-4,9-11H,5-8H2,1-2H3
InChIKeyKMEHLMOWJNRDRM-UHFFFAOYSA-N
XLogP1.31
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646184
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646197
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328605
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
(1-aminocyclopropyl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 119692262
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146086584
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(3-hydroxyphenoxy)ethanone
CID 2051838
1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119692279
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 71797913
1-[4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 110646229
4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carboximidamide
CID 2758390
[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328604

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 110646198) is [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone is COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cscn3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is KMEHLMOWJNRDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S2/c1-23-12-3-4-14(24-2)15(9-12)26(21,22)19-7-5-18(6-8-19)16(20)13-10-25-11-17-13/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 397.48 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110646198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).