7-methoxy-2H-1,4-benzothiazin-3-amine

C9H10N2OS — CID 820030

IUPAC7-methoxy-2H-1,4-benzothiazin-3-amine
SMILESCOc1ccc2c(c1)SCC(N)=N2
InChIInChI=1S/C9H10N2OS/c1-12-6-2-3-7-8(4-6)13-5-9(10)11-7/h2-4H,5H2,1H3,(H2,10,11)
InChIKeyNIUQTDFBHDZETA-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.79
Rot. Bonds1

About 7-methoxy-2H-1,4-benzothiazin-3-amine

7-methoxy-2H-1,4-benzothiazin-3-amine (PubChem CID 820030) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 7-methoxy-2H-1,4-benzothiazin-3-amine.

Molecular Properties

Compound Name7-methoxy-2H-1,4-benzothiazin-3-amine
PubChem CID820030
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name7-methoxy-2H-1,4-benzothiazin-3-amine
SMILESCOc1ccc2c(c1)SCC(N)=N2
InChIInChI=1S/C9H10N2OS/c1-12-6-2-3-7-8(4-6)13-5-9(10)11-7/h2-4H,5H2,1H3,(H2,10,11)
InChIKeyNIUQTDFBHDZETA-UHFFFAOYSA-N
XLogP1.79
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2H-1,4-benzothiazin-3-amine?
The IUPAC name of 7-methoxy-2H-1,4-benzothiazin-3-amine (CID 820030) is 7-methoxy-2H-1,4-benzothiazin-3-amine.
What is the SMILES notation for 7-methoxy-2H-1,4-benzothiazin-3-amine?
The canonical SMILES for 7-methoxy-2H-1,4-benzothiazin-3-amine is COc1ccc2c(c1)SCC(N)=N2.
What is the InChIKey of 7-methoxy-2H-1,4-benzothiazin-3-amine?
The InChIKey is NIUQTDFBHDZETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-12-6-2-3-7-8(4-6)13-5-9(10)11-7/h2-4H,5H2,1H3,(H2,10,11).
What are the key properties of 7-methoxy-2H-1,4-benzothiazin-3-amine?
7-methoxy-2H-1,4-benzothiazin-3-amine has a molecular weight of 194.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2H-1,4-benzothiazin-3-amine is sourced from PubChem (CID 820030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).