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

C20H17N3O3S2 — CID 75769688

IUPACN-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCOc1cccc(-c2csc(NC(=O)C3(C)Sc4ccccc4NC3=O)n2)c1
InChIInChI=1S/C20H17N3O3S2/c1-20(17(24)21-14-8-3-4-9-16(14)28-20)18(25)23-19-22-15(11-27-19)12-6-5-7-13(10-12)26-2/h3-11H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyQSXOCNJGCXWBJN-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.26
Rot. Bonds4

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

N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 75769688) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
PubChem CID75769688
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC NameN-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
SMILESCOc1cccc(-c2csc(NC(=O)C3(C)Sc4ccccc4NC3=O)n2)c1
InChIInChI=1S/C20H17N3O3S2/c1-20(17(24)21-14-8-3-4-9-16(14)28-20)18(25)23-19-22-15(11-27-19)12-6-5-7-13(10-12)26-2/h3-11H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyQSXOCNJGCXWBJN-UHFFFAOYSA-N
XLogP4.26
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
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N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 4879034
3-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4564383
N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 60642120
2-(4-ethylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196482
2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 110452105
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 71690204
4-(1,3-dioxoisoindol-2-yl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19197395
1-[(2E,4Z)-hepta-2,4-dien-6-yn-3-yl]-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 126486973
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
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4-(3-methoxyphenyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (CID 75769688) is N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is COc1cccc(-c2csc(NC(=O)C3(C)Sc4ccccc4NC3=O)n2)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is QSXOCNJGCXWBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-20(17(24)21-14-8-3-4-9-16(14)28-20)18(25)23-19-22-15(11-27-19)12-6-5-7-13(10-12)26-2/h3-11H,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide?
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75769688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).