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

C14H13N3O2S2 — CID 54100593

IUPAC2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-3H-1,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2C(=O)c3ccccc3SN2C)s1
InChIInChI=1S/C14H13N3O2S2/c1-8-7-15-14(20-8)16-13(19)11-12(18)9-5-3-4-6-10(9)21-17(11)2/h3-7,11H,1-2H3,(H,15,16,19)
InChIKeyNAGFOGPDTVCPHL-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.59
Rot. Bonds2

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

2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-3H-1,2-benzothiazine-3-carboxamide (PubChem CID 54100593) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-3H-1,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-3H-1,2-benzothiazine-3-carboxamide
PubChem CID54100593
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-3H-1,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2C(=O)c3ccccc3SN2C)s1
InChIInChI=1S/C14H13N3O2S2/c1-8-7-15-14(20-8)16-13(19)11-12(18)9-5-3-4-6-10(9)21-17(11)2/h3-7,11H,1-2H3,(H,15,16,19)
InChIKeyNAGFOGPDTVCPHL-UHFFFAOYSA-N
XLogP2.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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N-(5-Acetyl-thiazol-2-yl)-2-phenyl-acetamide
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1-(4-acetylphenyl)sulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
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CID 3955158
2-methyl-1,1,4-trioxo-N-(1,3-thiazol-2-yl)-3H-1lambda6,2-benzothiazine-3-carboxamide
CID 15592197
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
4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-4-oxobutanamide
CID 17541509
2-benzoyl-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 3974956
4-(4-methylsulfanylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-4-oxobutanamide
CID 17482342
N-(5-methyl-1,3-thiazol-2-yl)-1,1,4-trioxo-2,3-dihydro-1lambda6,2-benzothiazine-3-carboxamide
CID 9945750

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-3H-1,2-benzothiazine-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-3H-1,2-benzothiazine-3-carboxamide (CID 54100593) is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-3H-1,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-3H-1,2-benzothiazine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-3H-1,2-benzothiazine-3-carboxamide is Cc1cnc(NC(=O)C2C(=O)c3ccccc3SN2C)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-3H-1,2-benzothiazine-3-carboxamide?
The InChIKey is NAGFOGPDTVCPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-8-7-15-14(20-8)16-13(19)11-12(18)9-5-3-4-6-10(9)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)-4-oxo-3H-1,2-benzothiazine-3-carboxamide?
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-3H-1,2-benzothiazine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 2.59, 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)-4-oxo-3H-1,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54100593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).