(1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine

C11H12N4O3S — CID 175489925

IUPAC(1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine
SMILESC[C@H](N)C1=Cc2occc2S(=O)(=O)N1c1cn[nH]c1
InChIInChI=1S/C11H12N4O3S/c1-7(12)9-4-10-11(2-3-18-10)19(16,17)15(9)8-5-13-14-6-8/h2-7H,12H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyLPGHIWAWLIKQQT-ZETCQYMHSA-N
MW280.31 g/mol
LogP0.90
Rot. Bonds2

About (1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine

(1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine (PubChem CID 175489925) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is (1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine
PubChem CID175489925
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name(1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine
SMILESC[C@H](N)C1=Cc2occc2S(=O)(=O)N1c1cn[nH]c1
InChIInChI=1S/C11H12N4O3S/c1-7(12)9-4-10-11(2-3-18-10)19(16,17)15(9)8-5-13-14-6-8/h2-7H,12H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyLPGHIWAWLIKQQT-ZETCQYMHSA-N
XLogP0.90
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine?
The IUPAC name of (1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine (CID 175489925) is (1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine.
What is the SMILES notation for (1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine?
The canonical SMILES for (1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine is C[C@H](N)C1=Cc2occc2S(=O)(=O)N1c1cn[nH]c1.
What is the InChIKey of (1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine?
The InChIKey is LPGHIWAWLIKQQT-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-7(12)9-4-10-11(2-3-18-10)19(16,17)15(9)8-5-13-14-6-8/h2-7H,12H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine?
(1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine has a molecular weight of 280.31 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1,1-dioxo-2-(1H-pyrazol-4-yl)furo[2,3-e]thiazin-3-yl]ethanamine is sourced from PubChem (CID 175489925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).