2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C15H15N3O4S2 — CID 54690138

IUPAC2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCCN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C15H15N3O4S2/c1-3-18-12(14(20)17-15-16-8-9(2)23-15)13(19)10-6-4-5-7-11(10)24(18,21)22/h4-8,19H,3H2,1-2H3,(H,16,17,20)
InChIKeyVVJVPQGBOPDBDS-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.34
Rot. Bonds3

About 2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54690138) has the molecular formula C15H15N3O4S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54690138
Molecular FormulaC15H15N3O4S2
Molecular Weight365.44 g/mol
Exact Mass365.05
IUPAC Name2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCCN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C15H15N3O4S2/c1-3-18-12(14(20)17-15-16-8-9(2)23-15)13(19)10-6-4-5-7-11(10)24(18,21)22/h4-8,19H,3H2,1-2H3,(H,16,17,20)
InChIKeyVVJVPQGBOPDBDS-UHFFFAOYSA-N
XLogP2.34
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 54690138) is 2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CCN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O.
What is the InChIKey of 2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is VVJVPQGBOPDBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S2/c1-3-18-12(14(20)17-15-16-8-9(2)23-15)13(19)10-6-4-5-7-11(10)24(18,21)22/h4-8,19H,3H2,1-2H3,(H,16,17,20).
What are the key properties of 2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54690138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).