6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one

C11H7NOS2 — CID 12553250

IUPAC6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one
SMILESO=C1C(c2ccccc2)=S=C2SC=CN12
InChIInChI=1S/C11H7NOS2/c13-10-9(8-4-2-1-3-5-8)15-11-12(10)6-7-14-11/h1-7H
InChIKeyKEUNKZWDZAOAAM-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.09
Rot. Bonds1

About 6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one

6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one (PubChem CID 12553250) has the molecular formula C11H7NOS2 and a molecular weight of 233.32 g/mol. Its IUPAC name is 6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one
PubChem CID12553250
Molecular FormulaC11H7NOS2
Molecular Weight233.32 g/mol
Exact Mass233.00
IUPAC Name6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one
SMILESO=C1C(c2ccccc2)=S=C2SC=CN12
InChIInChI=1S/C11H7NOS2/c13-10-9(8-4-2-1-3-5-8)15-11-12(10)6-7-14-11/h1-7H
InChIKeyKEUNKZWDZAOAAM-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Anhydro-2-phenyl-3-hydroxythiazolo(3,2-a)pyridinium
CID 3035400
2-Phenyl-1-(2-thioxothiazolidin-3-yl)ethan-1-one
CID 772307
7-Methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyridin-3-one
CID 44291700
2-(4-Fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethan-1-one
CID 82120333
5-Phenyl-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 13691855
N-phenylacetyl-2-aminothiazole
CID 129734484
2-(2-Fluorophenyl)-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone
CID 82120334
2-Methylsulfanyl-2-phenyl-1-(1,3-thiazolidin-3-yl)ethanone
CID 140079165
2-Phenyl-2-sulfanyl-1-(1,3-thiazolidin-3-yl)ethanone
CID 140079195
Phenyl-(2-sulfanylidene-1,3-thiazol-3-yl)methanone
CID 141170136
methyl N-ethyl-N-(2-phenylacetyl)carbamodithioate
CID 143728509
2-phenyl-1-(2H-1,3-thiazol-3-yl)ethanone
CID 150615972

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one?
The IUPAC name of 6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one (CID 12553250) is 6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one.
What is the SMILES notation for 6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one?
The canonical SMILES for 6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one is O=C1C(c2ccccc2)=S=C2SC=CN12.
What is the InChIKey of 6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one?
The InChIKey is KEUNKZWDZAOAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS2/c13-10-9(8-4-2-1-3-5-8)15-11-12(10)6-7-14-11/h1-7H.
What are the key properties of 6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one?
6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one has a molecular weight of 233.32 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-[1,3]thiazolo[2,3-b][1,3]thiazol-5-one is sourced from PubChem (CID 12553250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).