4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide

C14H13N3O4S2 — CID 54694104

IUPAC4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
SMILESCc1cccc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)n1
InChIInChI=1S/C14H13N3O4S2/c1-8-4-3-5-10(15-8)16-14(19)11-12(18)13-9(6-7-22-13)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)
InChIKeyPKYMDYQWEZITKH-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.95
Rot. Bonds2

About 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide

4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide (PubChem CID 54694104) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
PubChem CID54694104
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC Name4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
SMILESCc1cccc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)n1
InChIInChI=1S/C14H13N3O4S2/c1-8-4-3-5-10(15-8)16-14(19)11-12(18)13-9(6-7-22-13)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)
InChIKeyPKYMDYQWEZITKH-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 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide (CID 54694104) is 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide is Cc1cccc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)n1.
What is the InChIKey of 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
The InChIKey is PKYMDYQWEZITKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-8-4-3-5-10(15-8)16-14(19)11-12(18)13-9(6-7-22-13)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19).
What are the key properties of 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-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 4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide is sourced from PubChem (CID 54694104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).