4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one

C4H2N2OS2 — CID 138377544

IUPAC4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one
SMILESO=c1[nH]c2ncsc2s1
InChIInChI=1S/C4H2N2OS2/c7-4-6-2-3(9-4)8-1-5-2/h1H,(H,6,7)
InChIKeyUTISHWQDRKQYOB-UHFFFAOYSA-N
MW158.21 g/mol
LogP1.05
Rot. Bonds

About 4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one

4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one (PubChem CID 138377544) has the molecular formula C4H2N2OS2 and a molecular weight of 158.21 g/mol. Its IUPAC name is 4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one.

Molecular Properties

Compound Name4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one
PubChem CID138377544
Molecular FormulaC4H2N2OS2
Molecular Weight158.21 g/mol
Exact Mass157.96
IUPAC Name4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one
SMILESO=c1[nH]c2ncsc2s1
InChIInChI=1S/C4H2N2OS2/c7-4-6-2-3(9-4)8-1-5-2/h1H,(H,6,7)
InChIKeyUTISHWQDRKQYOB-UHFFFAOYSA-N
XLogP1.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one?
The IUPAC name of 4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one (CID 138377544) is 4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one.
What is the SMILES notation for 4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one?
The canonical SMILES for 4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one is O=c1[nH]c2ncsc2s1.
What is the InChIKey of 4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one?
The InChIKey is UTISHWQDRKQYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2OS2/c7-4-6-2-3(9-4)8-1-5-2/h1H,(H,6,7).
What are the key properties of 4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one?
4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one has a molecular weight of 158.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-[1,3]thiazolo[4,5-d][1,3]thiazol-5-one is sourced from PubChem (CID 138377544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).