2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

C13H13N3O4S2 — CID 171138533

IUPAC2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc3c(c2)OC(C)C(=O)N3)s1
InChIInChI=1S/C13H13N3O4S2/c1-7-6-14-13(21-7)16-22(18,19)9-3-4-10-11(5-9)20-8(2)12(17)15-10/h3-6,8H,1-2H3,(H,14,16)(H,15,17)
InChIKeyNCMXSPOXTVKLSQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.97
Rot. Bonds3

About 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 171138533) has the molecular formula C13H13N3O4S2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID171138533
Molecular FormulaC13H13N3O4S2
Molecular Weight339.40 g/mol
Exact Mass339.03
IUPAC Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc3c(c2)OC(C)C(=O)N3)s1
InChIInChI=1S/C13H13N3O4S2/c1-7-6-14-13(21-7)16-22(18,19)9-3-4-10-11(5-9)20-8(2)12(17)15-10/h3-6,8H,1-2H3,(H,14,16)(H,15,17)
InChIKeyNCMXSPOXTVKLSQ-UHFFFAOYSA-N
XLogP1.97
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 100831027
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 110210997
(2S)-2-methyl-N-(1-methylpyrazol-4-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 124842502
(2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 124853126
(2R)-2-methyl-N-(4-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 25301090
N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 82355229
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51072921
N-(5-methyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35523329
(2S)-7-(azepan-1-ylsulfonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 124854790
4-cyano-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106919709
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8844810
6-amino-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62145030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 171138533) is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is Cc1cnc(NS(=O)(=O)c2ccc3c(c2)OC(C)C(=O)N3)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is NCMXSPOXTVKLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S2/c1-7-6-14-13(21-7)16-22(18,19)9-3-4-10-11(5-9)20-8(2)12(17)15-10/h3-6,8H,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 339.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 171138533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).