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

C14H12FN3O4S2 — CID 54683874

IUPAC7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)c3ccc(F)cc3S(=O)(=O)N2C)s1
InChIInChI=1S/C14H12FN3O4S2/c1-7-6-16-14(23-7)17-13(20)11-12(19)9-4-3-8(15)5-10(9)24(21,22)18(11)2/h3-6,19H,1-2H3,(H,16,17,20)
InChIKeyOQHSPYVXIMNTSL-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.09
Rot. Bonds2

About 7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54683874) has the molecular formula C14H12FN3O4S2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54683874
Molecular FormulaC14H12FN3O4S2
Molecular Weight369.40 g/mol
Exact Mass369.03
IUPAC Name7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)c3ccc(F)cc3S(=O)(=O)N2C)s1
InChIInChI=1S/C14H12FN3O4S2/c1-7-6-16-14(23-7)17-13(20)11-12(19)9-4-3-8(15)5-10(9)24(21,22)18(11)2/h3-6,19H,1-2H3,(H,16,17,20)
InChIKeyOQHSPYVXIMNTSL-UHFFFAOYSA-N
XLogP2.09
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 54683874) is 7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is Cc1cnc(NC(=O)C2=C(O)c3ccc(F)cc3S(=O)(=O)N2C)s1.
What is the InChIKey of 7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is OQHSPYVXIMNTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O4S2/c1-7-6-16-14(23-7)17-13(20)11-12(19)9-4-3-8(15)5-10(9)24(21,22)18(11)2/h3-6,19H,1-2H3,(H,16,17,20).
What are the key properties of 7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54683874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).