4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide

C14H12N2O4S2 — CID 54682080

IUPAC4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide
SMILESCN1c2ccsc2C(O)=C(C(=O)Nc2ccccc2)S1(=O)=O
InChIInChI=1S/C14H12N2O4S2/c1-16-10-7-8-21-12(10)11(17)13(22(16,19)20)14(18)15-9-5-3-2-4-6-9/h2-8,17H,1H3,(H,15,18)
InChIKeyFWYZHWNPROLRPB-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.39
Rot. Bonds2

About 4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide

4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide (PubChem CID 54682080) has the molecular formula C14H12N2O4S2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide
PubChem CID54682080
Molecular FormulaC14H12N2O4S2
Molecular Weight336.39 g/mol
Exact Mass336.02
IUPAC Name4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide
SMILESCN1c2ccsc2C(O)=C(C(=O)Nc2ccccc2)S1(=O)=O
InChIInChI=1S/C14H12N2O4S2/c1-16-10-7-8-21-12(10)11(17)13(22(16,19)20)14(18)15-9-5-3-2-4-6-9/h2-8,17H,1H3,(H,15,18)
InChIKeyFWYZHWNPROLRPB-UHFFFAOYSA-N
XLogP2.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1,5,6-trimethyl-2,2-dioxo-N-phenylthieno[2,3-c]thiazine-3-carboxamide
CID 54687621
(3Z)-3-[ethylamino(hydroxy)methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
CID 54696630
4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carbothioamide
CID 135471899
4-hydroxy-1-methyl-N-(2-methylphenyl)-2,2-dioxo-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carbothioamide
CID 135476848
4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carboxamide
CID 54687031
N-(2,6-dimethylphenyl)-4-hydroxy-1-methyl-2,2-dioxo-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carboxamide
CID 54687554
4-hydroxy-1-methyl-2,2-dioxo-N-phenyl-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carbothioamide
CID 135476807
N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
CID 54686577
N-(3-chlorophenyl)-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54694112
4-hydroxy-2-methyl-1,1-dioxo-N-phenylthieno[2,3-e]thiazine-3-carboxamide
CID 54694115
4-hydroxy-N-(4-hydroxyphenyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54694116
N-(2-fluorophenyl)-4-hydroxy-2,6-dimethyl-1,1-dioxothieno[3,2-e]thiazine-3-carboxamide
CID 54678451

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide (CID 54682080) is 4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide is CN1c2ccsc2C(O)=C(C(=O)Nc2ccccc2)S1(=O)=O.
What is the InChIKey of 4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide?
The InChIKey is FWYZHWNPROLRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S2/c1-16-10-7-8-21-12(10)11(17)13(22(16,19)20)14(18)15-9-5-3-2-4-6-9/h2-8,17H,1H3,(H,15,18).
What are the key properties of 4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide?
4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2,2-dioxo-N-phenylthieno[3,2-c]thiazine-3-carboxamide is sourced from PubChem (CID 54682080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).