4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide

C14H10F3N3O4S2 — CID 54689641

IUPAC4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2nc(C(F)(F)F)cs2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C14H10F3N3O4S2/c1-20-10(11(21)7-4-2-3-5-8(7)26(20,23)24)12(22)19-13-18-9(6-25-13)14(15,16)17/h2-6,21H,1H3,(H,18,19,22)
InChIKeyMOLLGDBAGHXCQZ-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.66
Rot. Bonds2

About 4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54689641) has the molecular formula C14H10F3N3O4S2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54689641
Molecular FormulaC14H10F3N3O4S2
Molecular Weight405.38 g/mol
Exact Mass405.01
IUPAC Name4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2nc(C(F)(F)F)cs2)=C(O)c2ccccc2S1(=O)=O
InChIInChI=1S/C14H10F3N3O4S2/c1-20-10(11(21)7-4-2-3-5-8(7)26(20,23)24)12(22)19-13-18-9(6-25-13)14(15,16)17/h2-6,21H,1H3,(H,18,19,22)
InChIKeyMOLLGDBAGHXCQZ-UHFFFAOYSA-N
XLogP2.66
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.66
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-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide (CID 54689641) is 4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide is CN1C(C(=O)Nc2nc(C(F)(F)F)cs2)=C(O)c2ccccc2S1(=O)=O.
What is the InChIKey of 4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is MOLLGDBAGHXCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O4S2/c1-20-10(11(21)7-4-2-3-5-8(7)26(20,23)24)12(22)19-13-18-9(6-25-13)14(15,16)17/h2-6,21H,1H3,(H,18,19,22).
What are the key properties of 4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 405.38 g/mol, XLogP of 2.66, 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-1,1-dioxo-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54689641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).