6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione

C15H15N5O4S2 — CID 24627168

IUPAC6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4nccs4)CC3)cc2[nH]c1=O
InChIInChI=1S/C15H15N5O4S2/c21-13-14(22)18-12-9-10(1-2-11(12)17-13)26(23,24)20-6-4-19(5-7-20)15-16-3-8-25-15/h1-3,8-9H,4-7H2,(H,17,21)(H,18,22)
InChIKeyRXKYHMMZXOPIDA-UHFFFAOYSA-N
MW393.45 g/mol
LogP0.18
Rot. Bonds3

About 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione

6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 24627168) has the molecular formula C15H15N5O4S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
PubChem CID24627168
Molecular FormulaC15H15N5O4S2
Molecular Weight393.45 g/mol
Exact Mass393.06
IUPAC Name6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4nccs4)CC3)cc2[nH]c1=O
InChIInChI=1S/C15H15N5O4S2/c21-13-14(22)18-12-9-10(1-2-11(12)17-13)26(23,24)20-6-4-19(5-7-20)15-16-3-8-25-15/h1-3,8-9H,4-7H2,(H,17,21)(H,18,22)
InChIKeyRXKYHMMZXOPIDA-UHFFFAOYSA-N
XLogP0.18
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 17451097
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 17447833
2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 47267371
2-[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole
CID 25476221
4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 60724620
6-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24656784
2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 58724183
5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 146146706
N-[2,5-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 46970000
2-[4-(1-benzylpyrazol-4-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 86870379
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 18524431
5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide
CID 56585060

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione (CID 24627168) is 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(S(=O)(=O)N3CCN(c4nccs4)CC3)cc2[nH]c1=O.
What is the InChIKey of 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is RXKYHMMZXOPIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4S2/c21-13-14(22)18-12-9-10(1-2-11(12)17-13)26(23,24)20-6-4-19(5-7-20)15-16-3-8-25-15/h1-3,8-9H,4-7H2,(H,17,21)(H,18,22).
What are the key properties of 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione?
6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 393.45 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 24627168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).