2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide

C18H20N4O4S — CID 12890323

IUPAC2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=C(N3CCCC3)c3ccccc3S(=O)(=O)N2C)no1
InChIInChI=1S/C18H20N4O4S/c1-12-11-15(20-26-12)19-18(23)17-16(22-9-5-6-10-22)13-7-3-4-8-14(13)27(24,25)21(17)2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,19,20,23)
InChIKeyKVWZOTYOTMUFRI-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.02
Rot. Bonds3

About 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide (PubChem CID 12890323) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide
PubChem CID12890323
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=C(N3CCCC3)c3ccccc3S(=O)(=O)N2C)no1
InChIInChI=1S/C18H20N4O4S/c1-12-11-15(20-26-12)19-18(23)17-16(22-9-5-6-10-22)13-7-3-4-8-14(13)27(24,25)21(17)2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,19,20,23)
InChIKeyKVWZOTYOTMUFRI-UHFFFAOYSA-N
XLogP2.02
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide (CID 12890323) is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide is Cc1cc(NC(=O)C2=C(N3CCCC3)c3ccccc3S(=O)(=O)N2C)no1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide?
The InChIKey is KVWZOTYOTMUFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-12-11-15(20-26-12)19-18(23)17-16(22-9-5-6-10-22)13-7-3-4-8-14(13)27(24,25)21(17)2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,19,20,23).
What are the key properties of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide?
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.02, 3 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-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 12890323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).