6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one

C13H13BrN2OS2 — CID 56693257

IUPAC6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one
SMILESCC1(C)SCC2C(=O)N(c3ccc(Br)cc3)C(=S)N21
InChIInChI=1S/C13H13BrN2OS2/c1-13(2)16-10(7-19-13)11(17)15(12(16)18)9-5-3-8(14)4-6-9/h3-6,10H,7H2,1-2H3
InChIKeyRIZINOIRDKLCEC-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.23
Rot. Bonds1

About 6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one

6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one (PubChem CID 56693257) has the molecular formula C13H13BrN2OS2 and a molecular weight of 357.30 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one
PubChem CID56693257
Molecular FormulaC13H13BrN2OS2
Molecular Weight357.30 g/mol
Exact Mass355.97
IUPAC Name6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one
SMILESCC1(C)SCC2C(=O)N(c3ccc(Br)cc3)C(=S)N21
InChIInChI=1S/C13H13BrN2OS2/c1-13(2)16-10(7-19-13)11(17)15(12(16)18)9-5-3-8(14)4-6-9/h3-6,10H,7H2,1-2H3
InChIKeyRIZINOIRDKLCEC-UHFFFAOYSA-N
XLogP3.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one?
The IUPAC name of 6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one (CID 56693257) is 6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one.
What is the SMILES notation for 6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one?
The canonical SMILES for 6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one is CC1(C)SCC2C(=O)N(c3ccc(Br)cc3)C(=S)N21.
What is the InChIKey of 6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one?
The InChIKey is RIZINOIRDKLCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS2/c1-13(2)16-10(7-19-13)11(17)15(12(16)18)9-5-3-8(14)4-6-9/h3-6,10H,7H2,1-2H3.
What are the key properties of 6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one?
6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one has a molecular weight of 357.30 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3,3-dimethyl-5-sulfanylidene-1,7a-dihydroimidazo[1,5-c][1,3]thiazol-7-one is sourced from PubChem (CID 56693257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).