6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide

C13H10ClN3O4S2 — CID 54690031

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IUPAC6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O
InChIInChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)
InChIKeyWLHQHAUOOXYABV-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.30
Rot. Bonds2

About 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide

6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide (PubChem CID 54690031) has the molecular formula C13H10ClN3O4S2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
PubChem CID54690031
Molecular FormulaC13H10ClN3O4S2
Molecular Weight371.83 g/mol
Exact Mass370.98
IUPAC Name6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O
InChIInChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)
InChIKeyWLHQHAUOOXYABV-UHFFFAOYSA-N
XLogP2.30
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide with MolForge

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Related Compounds

Tenoxicam
CID 54677971
Ro 17-6661
CID 54692969
2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-, 1,1-dioxide
CID 54691489
Propanoic acid, 2,2-dimethyl-, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide
CID 3078940
2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 4-hydroxy-2-methyl-N-2-pyridinyl-6-trifluoromethyl-, 1,1-dioxide
CID 54677412
7-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
CID 54680392
4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54694104
2H-Thieno[2,3-e]-1,2-thiazine-3-carboxamide, 4-hydroxy-2-methyl-N-3-pyridinyl-, 1,1-dioxide
CID 54694108
4-hydroxy-1,1-dioxo-N-pyridin-2-yl-2H-thieno[2,3-e]thiazine-3-carboxamide
CID 54733911
2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-4-((3-methyl-2-buten-1-yl)oxy)-N-2-pyridinyl-, 1,1-dioxide
CID 3078933
Butanedioic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide
CID 3078934
2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide
CID 3078936

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide?
The IUPAC name of 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide (CID 54690031) is 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide is CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O.
What is the InChIKey of 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide?
The InChIKey is WLHQHAUOOXYABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19).
What are the key properties of 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide?
6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide is sourced from PubChem (CID 54690031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).