2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one

C6H4N2OS2 — CID 66974641

IUPAC2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one
SMILESO=C1CSC(c2nccs2)=N1
InChIInChI=1S/C6H4N2OS2/c9-4-3-11-6(8-4)5-7-1-2-10-5/h1-2H,3H2
InChIKeyXQHISZUUSXDYBT-UHFFFAOYSA-N
MW184.25 g/mol
LogP1.16
Rot. Bonds1

About 2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one

2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one (PubChem CID 66974641) has the molecular formula C6H4N2OS2 and a molecular weight of 184.25 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one
PubChem CID66974641
Molecular FormulaC6H4N2OS2
Molecular Weight184.25 g/mol
Exact Mass183.98
IUPAC Name2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one
SMILESO=C1CSC(c2nccs2)=N1
InChIInChI=1S/C6H4N2OS2/c9-4-3-11-6(8-4)5-7-1-2-10-5/h1-2H,3H2
InChIKeyXQHISZUUSXDYBT-UHFFFAOYSA-N
XLogP1.16
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one (CID 66974641) is 2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one is O=C1CSC(c2nccs2)=N1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one?
The InChIKey is XQHISZUUSXDYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS2/c9-4-3-11-6(8-4)5-7-1-2-10-5/h1-2H,3H2.
What are the key properties of 2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one?
2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one has a molecular weight of 184.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-1,3-thiazol-4-one is sourced from PubChem (CID 66974641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).