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

C15H15N3O4S2 — CID 23331598

IUPAC4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCOC1=C(C(=O)Nc2ncc(C)s2)N(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C15H15N3O4S2/c1-9-8-16-15(23-9)17-14(19)12-13(22-3)10-6-4-5-7-11(10)24(20,21)18(12)2/h4-8H,1-3H3,(H,16,17,19)
InChIKeyRTUDJLQLPHEBEE-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.04
Rot. Bonds3

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

4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 23331598) has the molecular formula C15H15N3O4S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID23331598
Molecular FormulaC15H15N3O4S2
Molecular Weight365.44 g/mol
Exact Mass365.05
IUPAC Name4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCOC1=C(C(=O)Nc2ncc(C)s2)N(C)S(=O)(=O)c2ccccc21
InChIInChI=1S/C15H15N3O4S2/c1-9-8-16-15(23-9)17-14(19)12-13(22-3)10-6-4-5-7-11(10)24(20,21)18(12)2/h4-8H,1-3H3,(H,16,17,19)
InChIKeyRTUDJLQLPHEBEE-UHFFFAOYSA-N
XLogP2.04
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 23331598) is 4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is COC1=C(C(=O)Nc2ncc(C)s2)N(C)S(=O)(=O)c2ccccc21.
What is the InChIKey of 4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is RTUDJLQLPHEBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S2/c1-9-8-16-15(23-9)17-14(19)12-13(22-3)10-6-4-5-7-11(10)24(20,21)18(12)2/h4-8H,1-3H3,(H,16,17,19).
What are the key properties of 4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
4-methoxy-2-methyl-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 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 23331598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).