6'-Bromodispiro[oxetane-3,3'-chromene-4',4''-[1,3]thiazol]-2''-amine

C13H13BrN2O2S — CID 86724235

IUPAC—
SMILESNC1=NC2(CS1)c1cc(Br)ccc1OCC21COC1
InChIInChI=1S/C13H13BrN2O2S/c14-8-1-2-10-9(3-8)13(7-19-11(15)16-13)12(6-18-10)4-17-5-12/h1-3H,4-7H2,(H2,15,16)
InChIKeyOIIKYZRXWBNXLG-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.11
Rot. Bonds

About 6'-Bromodispiro[oxetane-3,3'-chromene-4',4''-[1,3]thiazol]-2''-amine

6'-Bromodispiro[oxetane-3,3'-chromene-4',4''-[1,3]thiazol]-2''-amine (PubChem CID 86724235) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol.

Molecular Properties

Compound Name6'-Bromodispiro[oxetane-3,3'-chromene-4',4''-[1,3]thiazol]-2''-amine
PubChem CID86724235
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name—
SMILESNC1=NC2(CS1)c1cc(Br)ccc1OCC21COC1
InChIInChI=1S/C13H13BrN2O2S/c14-8-1-2-10-9(3-8)13(7-19-11(15)16-13)12(6-18-10)4-17-5-12/h1-3H,4-7H2,(H2,15,16)
InChIKeyOIIKYZRXWBNXLG-UHFFFAOYSA-N
XLogP2.11
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6'-Bromodispiro[oxetane-3,3'-chromene-4',4''-[1,3]thiazol]-2''-amine?
The IUPAC name of 6'-Bromodispiro[oxetane-3,3'-chromene-4',4''-[1,3]thiazol]-2''-amine (CID 86724235) is not available.
What is the SMILES notation for 6'-Bromodispiro[oxetane-3,3'-chromene-4',4''-[1,3]thiazol]-2''-amine?
The canonical SMILES for 6'-Bromodispiro[oxetane-3,3'-chromene-4',4''-[1,3]thiazol]-2''-amine is NC1=NC2(CS1)c1cc(Br)ccc1OCC21COC1.
What is the InChIKey of 6'-Bromodispiro[oxetane-3,3'-chromene-4',4''-[1,3]thiazol]-2''-amine?
The InChIKey is OIIKYZRXWBNXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c14-8-1-2-10-9(3-8)13(7-19-11(15)16-13)12(6-18-10)4-17-5-12/h1-3H,4-7H2,(H2,15,16).
What are the key properties of 6'-Bromodispiro[oxetane-3,3'-chromene-4',4''-[1,3]thiazol]-2''-amine?
6'-Bromodispiro[oxetane-3,3'-chromene-4',4''-[1,3]thiazol]-2''-amine has a molecular weight of 341.23 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-Bromodispiro[oxetane-3,3'-chromene-4',4''-[1,3]thiazol]-2''-amine is sourced from PubChem (CID 86724235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).