N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H11F3N4O2S — CID 35875384

IUPACN-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C14H11F3N4O2S/c15-14(16,17)11-3-4-21(20-11)6-12(22)18-8-1-2-10-9(5-8)19-13(23)7-24-10/h1-5H,6-7H2,(H,18,22)(H,19,23)
InChIKeyVMRKLPBBNDLEEN-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.58
Rot. Bonds3

About N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 35875384) has the molecular formula C14H11F3N4O2S and a molecular weight of 356.33 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID35875384
Molecular FormulaC14H11F3N4O2S
Molecular Weight356.33 g/mol
Exact Mass356.06
IUPAC NameN-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc2c(c1)NC(=O)CS2
InChIInChI=1S/C14H11F3N4O2S/c15-14(16,17)11-3-4-21(20-11)6-12(22)18-8-1-2-10-9(5-8)19-13(23)7-24-10/h1-5H,6-7H2,(H,18,22)(H,19,23)
InChIKeyVMRKLPBBNDLEEN-UHFFFAOYSA-N
XLogP2.58
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 35875384) is N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc2c(c1)NC(=O)CS2.
What is the InChIKey of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is VMRKLPBBNDLEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2S/c15-14(16,17)11-3-4-21(20-11)6-12(22)18-8-1-2-10-9(5-8)19-13(23)7-24-10/h1-5H,6-7H2,(H,18,22)(H,19,23).
What are the key properties of N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 356.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzothiazin-6-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 35875384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).