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

C14H13N3O4S2 — CID 10521875

IUPAC3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)N(C)S(=O)(=O)c3ccccc32)s1
InChIInChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-12(18)11-9-5-3-4-6-10(9)23(20,21)17(2)13(11)19/h3-7,19H,1-2H3,(H,15,16,18)
InChIKeyYEINZYPHKWTEOU-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.95
Rot. Bonds2

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

3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide (PubChem CID 10521875) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide
PubChem CID10521875
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC Name3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)N(C)S(=O)(=O)c3ccccc32)s1
InChIInChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-12(18)11-9-5-3-4-6-10(9)23(20,21)17(2)13(11)19/h3-7,19H,1-2H3,(H,15,16,18)
InChIKeyYEINZYPHKWTEOU-UHFFFAOYSA-N
XLogP1.95
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide (CID 10521875) is 3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide is Cc1cnc(NC(=O)C2=C(O)N(C)S(=O)(=O)c3ccccc32)s1.
What is the InChIKey of 3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide?
The InChIKey is YEINZYPHKWTEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-12(18)11-9-5-3-4-6-10(9)23(20,21)17(2)13(11)19/h3-7,19H,1-2H3,(H,15,16,18).
What are the key properties of 3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide?
3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide is sourced from PubChem (CID 10521875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).