2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide

C14H13N3O4S2 — CID 10291556

IUPAC2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2C(=O)c3ccccc3S(=O)(=O)N2C)s1
InChIInChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,11H,1-2H3,(H,15,16,19)
InChIKeyZAHQBPYQBHTECE-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.28
Rot. Bonds2

About 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide

2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 10291556) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide
PubChem CID10291556
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2C(=O)c3ccccc3S(=O)(=O)N2C)s1
InChIInChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,11H,1-2H3,(H,15,16,19)
InChIKeyZAHQBPYQBHTECE-UHFFFAOYSA-N
XLogP1.28
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-ethylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
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3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1lambda6,2-benzothiazine-4-carboxamide
CID 10521875
3-(N,N-Dimethylsulfamoyl)-N-(5-methylthiazol-2-yl)benzamide
CID 2122705
2-methyl-1,1,4-trioxo-N-(1,3-thiazol-2-yl)-3H-1lambda6,2-benzothiazine-3-carboxamide
CID 15592197
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-3H-1,2-benzothiazine-3-carboxamide
CID 54100593
7-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1lambda6,2-benzothiazine-3-carboxamide
CID 54132997
6-fluoro-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1lambda6,2-benzothiazine-3-carboxamide
CID 91340181
2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 24249866
(2R)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 30804933
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 30804934
N-(5-methyl-1,3-thiazol-2-yl)-9,10,10-trioxothioxanthene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide (CID 10291556) is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide is Cc1cnc(NC(=O)C2C(=O)c3ccccc3S(=O)(=O)N2C)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is ZAHQBPYQBHTECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,11H,1-2H3,(H,15,16,19).
What are the key properties of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide?
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 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)-1,1,4-trioxo-3H-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 10291556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).