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

C19H22N4O4S — CID 12890324

IUPACN,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide
SMILESCc1cc(N(C)C(=O)C2=C(N3CCCC3)c3ccccc3S(=O)(=O)N2C)no1
InChIInChI=1S/C19H22N4O4S/c1-13-12-16(20-27-13)21(2)19(24)18-17(23-10-6-7-11-23)14-8-4-5-9-15(14)28(25,26)22(18)3/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeyIZZIRUAFDMZWMP-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.04
Rot. Bonds3

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

N,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide (PubChem CID 12890324) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide
PubChem CID12890324
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide
SMILESCc1cc(N(C)C(=O)C2=C(N3CCCC3)c3ccccc3S(=O)(=O)N2C)no1
InChIInChI=1S/C19H22N4O4S/c1-13-12-16(20-27-13)21(2)19(24)18-17(23-10-6-7-11-23)14-8-4-5-9-15(14)28(25,26)22(18)3/h4-5,8-9,12H,6-7,10-11H2,1-3H3
InChIKeyIZZIRUAFDMZWMP-UHFFFAOYSA-N
XLogP2.04
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide (CID 12890324) is N,2-dimethyl-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 N,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide is Cc1cc(N(C)C(=O)C2=C(N3CCCC3)c3ccccc3S(=O)(=O)N2C)no1.
What is the InChIKey of N,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide?
The InChIKey is IZZIRUAFDMZWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-13-12-16(20-27-13)21(2)19(24)18-17(23-10-6-7-11-23)14-8-4-5-9-15(14)28(25,26)22(18)3/h4-5,8-9,12H,6-7,10-11H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-4-pyrrolidin-1-yl-1lambda6,2-benzothiazine-3-carboxamide?
N,2-dimethyl-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 402.48 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-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 12890324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).