4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide

C17H18N4O5S2 — CID 59810267

IUPAC4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)nc1
InChIInChI=1S/C17H18N4O5S2/c1-3-7-18-16(23)10-4-5-12(19-9-10)20-17(24)13-14(22)15-11(6-8-27-15)28(25,26)21(13)2/h4-6,8-9,22H,3,7H2,1-2H3,(H,18,23)(H,19,20,24)
InChIKeyQTNQMSVIMFTMEA-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.78
Rot. Bonds5

About 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide

4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide (PubChem CID 59810267) has the molecular formula C17H18N4O5S2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide
PubChem CID59810267
Molecular FormulaC17H18N4O5S2
Molecular Weight422.49 g/mol
Exact Mass422.07
IUPAC Name4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)nc1
InChIInChI=1S/C17H18N4O5S2/c1-3-7-18-16(23)10-4-5-12(19-9-10)20-17(24)13-14(22)15-11(6-8-27-15)28(25,26)21(13)2/h4-6,8-9,22H,3,7H2,1-2H3,(H,18,23)(H,19,20,24)
InChIKeyQTNQMSVIMFTMEA-UHFFFAOYSA-N
XLogP1.78
TPSA128.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide (CID 59810267) is 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide is CCCNC(=O)c1ccc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)nc1.
What is the InChIKey of 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide?
The InChIKey is QTNQMSVIMFTMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5S2/c1-3-7-18-16(23)10-4-5-12(19-9-10)20-17(24)13-14(22)15-11(6-8-27-15)28(25,26)21(13)2/h4-6,8-9,22H,3,7H2,1-2H3,(H,18,23)(H,19,20,24).
What are the key properties of 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide?
4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-1,1-dioxo-N-[5-(propylcarbamoyl)-2-pyridinyl]thieno[2,3-e]thiazine-3-carboxamide is sourced from PubChem (CID 59810267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).