4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide

C12H11N3O4S3 — CID 54698884

IUPAC4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)s1
InChIInChI=1S/C12H11N3O4S3/c1-6-5-13-12(21-6)14-11(17)8-9(16)10-7(3-4-20-10)22(18,19)15(8)2/h3-5,16H,1-2H3,(H,13,14,17)
InChIKeyOBRXEHBNQXENBK-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.01
Rot. Bonds2

About 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide

4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide (PubChem CID 54698884) has the molecular formula C12H11N3O4S3 and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
PubChem CID54698884
Molecular FormulaC12H11N3O4S3
Molecular Weight357.44 g/mol
Exact Mass356.99
IUPAC Name4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)s1
InChIInChI=1S/C12H11N3O4S3/c1-6-5-13-12(21-6)14-11(17)8-9(16)10-7(3-4-20-10)22(18,19)15(8)2/h3-5,16H,1-2H3,(H,13,14,17)
InChIKeyOBRXEHBNQXENBK-UHFFFAOYSA-N
XLogP2.01
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide (CID 54698884) is 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide is Cc1cnc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)s1.
What is the InChIKey of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
The InChIKey is OBRXEHBNQXENBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S3/c1-6-5-13-12(21-6)14-11(17)8-9(16)10-7(3-4-20-10)22(18,19)15(8)2/h3-5,16H,1-2H3,(H,13,14,17).
What are the key properties of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide?
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide is sourced from PubChem (CID 54698884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).