5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine

C11H13N5OS — CID 123136406

IUPAC5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine
SMILES[H]N=S1(=N[H])N=C(N)c2c(cccc2C2=CCCO2)N1
InChIInChI=1S/C11H13N5OS/c12-11-10-7(9-5-2-6-17-9)3-1-4-8(10)15-18(13,14)16-11/h1,3-5H,2,6H2,(H5,12,13,14,15,16)
InChIKeyNCRBCFWHTSMRFV-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.09
Rot. Bonds1

About 5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine

5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine (PubChem CID 123136406) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine.

Molecular Properties

Compound Name5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine
PubChem CID123136406
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine
SMILES[H]N=S1(=N[H])N=C(N)c2c(cccc2C2=CCCO2)N1
InChIInChI=1S/C11H13N5OS/c12-11-10-7(9-5-2-6-17-9)3-1-4-8(10)15-18(13,14)16-11/h1,3-5H,2,6H2,(H5,12,13,14,15,16)
InChIKeyNCRBCFWHTSMRFV-UHFFFAOYSA-N
XLogP2.09
TPSA107.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine?
The IUPAC name of 5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine (CID 123136406) is 5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine.
What is the SMILES notation for 5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine?
The canonical SMILES for 5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine is [H]N=S1(=N[H])N=C(N)c2c(cccc2C2=CCCO2)N1.
What is the InChIKey of 5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine?
The InChIKey is NCRBCFWHTSMRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c12-11-10-7(9-5-2-6-17-9)3-1-4-8(10)15-18(13,14)16-11/h1,3-5H,2,6H2,(H5,12,13,14,15,16).
What are the key properties of 5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine?
5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine has a molecular weight of 263.33 g/mol, XLogP of 2.09, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrofuran-5-yl)-2,2-diimino-1H-2λ6,1,3-benzothiadiazin-4-amine is sourced from PubChem (CID 123136406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).