5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium

C11H10NS2+ — CID 721556

IUPAC5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium
SMILESc1ccc(-c2csc3[n+]2CCS3)cc1
InChIInChI=1S/C11H10NS2/c1-2-4-9(5-3-1)10-8-14-11-12(10)6-7-13-11/h1-5,8H,6-7H2/q+1
InChIKeyAEOXCHHYMIGXRI-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.81
Rot. Bonds1

About 5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium

5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium (PubChem CID 721556) has the molecular formula C11H10NS2+ and a molecular weight of 220.34 g/mol. Its IUPAC name is 5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium.

Molecular Properties

Compound Name5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium
PubChem CID721556
Molecular FormulaC11H10NS2+
Molecular Weight220.34 g/mol
Exact Mass220.02
IUPAC Name5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium
SMILESc1ccc(-c2csc3[n+]2CCS3)cc1
InChIInChI=1S/C11H10NS2/c1-2-4-9(5-3-1)10-8-14-11-12(10)6-7-13-11/h1-5,8H,6-7H2/q+1
InChIKeyAEOXCHHYMIGXRI-UHFFFAOYSA-N
XLogP2.81
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium?
The IUPAC name of 5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium (CID 721556) is 5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium.
What is the SMILES notation for 5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium?
The canonical SMILES for 5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium is c1ccc(-c2csc3[n+]2CCS3)cc1.
What is the InChIKey of 5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium?
The InChIKey is AEOXCHHYMIGXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10NS2/c1-2-4-9(5-3-1)10-8-14-11-12(10)6-7-13-11/h1-5,8H,6-7H2/q+1.
What are the key properties of 5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium?
5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium has a molecular weight of 220.34 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium is sourced from PubChem (CID 721556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).