CID 90056326

C15H17BrN2O2S — CID 90056326

IUPAC—
SMILESCC1(C)Oc2ccc(Br)cc2C2(CSC(N)=N2)C12COC2
InChIInChI=1S/C15H17BrN2O2S/c1-13(2)14(6-19-7-14)15(8-21-12(17)18-15)10-5-9(16)3-4-11(10)20-13/h3-5H,6-8H2,1-2H3,(H2,17,18)
InChIKeyFXWBDJSWBRAHBD-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.89
Rot. Bonds

About CID 90056326

CID 90056326 (PubChem CID 90056326) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol.

Molecular Properties

Compound NameCID 90056326
PubChem CID90056326
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name—
SMILESCC1(C)Oc2ccc(Br)cc2C2(CSC(N)=N2)C12COC2
InChIInChI=1S/C15H17BrN2O2S/c1-13(2)14(6-19-7-14)15(8-21-12(17)18-15)10-5-9(16)3-4-11(10)20-13/h3-5H,6-8H2,1-2H3,(H2,17,18)
InChIKeyFXWBDJSWBRAHBD-UHFFFAOYSA-N
XLogP2.89
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 90056326?
The IUPAC name of CID 90056326 (CID 90056326) is not available.
What is the SMILES notation for CID 90056326?
The canonical SMILES for CID 90056326 is CC1(C)Oc2ccc(Br)cc2C2(CSC(N)=N2)C12COC2.
What is the InChIKey of CID 90056326?
The InChIKey is FXWBDJSWBRAHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-13(2)14(6-19-7-14)15(8-21-12(17)18-15)10-5-9(16)3-4-11(10)20-13/h3-5H,6-8H2,1-2H3,(H2,17,18).
What are the key properties of CID 90056326?
CID 90056326 has a molecular weight of 369.28 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90056326 is sourced from PubChem (CID 90056326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).