4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one

C12H11N3O4S2 — CID 60723912

IUPAC4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H11N3O4S2/c1-7-11(20-12(17)13-7)21(18,19)15-6-10(16)14-8-4-2-3-5-9(8)15/h2-5H,6H2,1H3,(H,13,17)(H,14,16)
InChIKeyRXDZUVBJPJSXKE-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.89
Rot. Bonds2

About 4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one

4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one (PubChem CID 60723912) has the molecular formula C12H11N3O4S2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
PubChem CID60723912
Molecular FormulaC12H11N3O4S2
Molecular Weight325.37 g/mol
Exact Mass325.02
IUPAC Name4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C12H11N3O4S2/c1-7-11(20-12(17)13-7)21(18,19)15-6-10(16)14-8-4-2-3-5-9(8)15/h2-5H,6H2,1H3,(H,13,17)(H,14,16)
InChIKeyRXDZUVBJPJSXKE-UHFFFAOYSA-N
XLogP0.89
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

N,N-dimethyl-3-oxo-2,4-dihydroquinoxaline-1-sulfonamide
CID 55126845
4-(4-chlorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093239
4-(2,3-difluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 86799239
4-(4-propan-2-yloxyphenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 110667530
4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 79369663
4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 107650918
6-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-benzoxazol-2-one
CID 110667522
4-(1,3-benzodioxol-5-ylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 110667520
4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylphenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
CID 20939783
4-[4-[(3R)-5-oxopyrrolidin-3-yl]phenyl]sulfonyl-1,3-dihydroquinoxalin-2-one
CID 7335367
3-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]propanoic acid
CID 28822178
4-methyl-5-(3-phenylpyrrolidin-1-yl)sulfonyl-3H-1,3-thiazol-2-one
CID 62131249

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one (CID 60723912) is 4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1S(=O)(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one?
The InChIKey is RXDZUVBJPJSXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S2/c1-7-11(20-12(17)13-7)21(18,19)15-6-10(16)14-8-4-2-3-5-9(8)15/h2-5H,6H2,1H3,(H,13,17)(H,14,16).
What are the key properties of 4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one?
4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one has a molecular weight of 325.37 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 60723912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).