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

C16H17N3O4S2 — CID 54717332

IUPAC4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide
SMILESCCCc1csc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)n1
InChIInChI=1S/C16H17N3O4S2/c1-3-6-10-9-24-16(17-10)18-15(21)13-14(20)11-7-4-5-8-12(11)25(22,23)19(13)2/h4-5,7-9,20H,3,6H2,1-2H3,(H,17,18,21)
InChIKeyXIZQFHCTIWWIGC-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.60
Rot. Bonds4

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

4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54717332) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54717332
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC Name4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide
SMILESCCCc1csc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)n1
InChIInChI=1S/C16H17N3O4S2/c1-3-6-10-9-24-16(17-10)18-15(21)13-14(20)11-7-4-5-8-12(11)25(22,23)19(13)2/h4-5,7-9,20H,3,6H2,1-2H3,(H,17,18,21)
InChIKeyXIZQFHCTIWWIGC-UHFFFAOYSA-N
XLogP2.60
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide (CID 54717332) is 4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide is CCCc1csc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)n1.
What is the InChIKey of 4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is XIZQFHCTIWWIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-3-6-10-9-24-16(17-10)18-15(21)13-14(20)11-7-4-5-8-12(11)25(22,23)19(13)2/h4-5,7-9,20H,3,6H2,1-2H3,(H,17,18,21).
What are the key properties of 4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-1,1-dioxo-N-(4-propyl-1,3-thiazol-2-yl)-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54717332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).