3H-thieno[2,3-d][1,3]thiazol-2-one

C5H3NOS2 — CID 14024712

IUPAC3H-thieno[2,3-d][1,3]thiazol-2-one
SMILESO=c1[nH]c2sccc2s1
InChIInChI=1S/C5H3NOS2/c7-5-6-4-3(9-5)1-2-8-4/h1-2H,(H,6,7)
InChIKeyHWEGYTBRBZRVQB-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.65
Rot. Bonds

About 3H-thieno[2,3-d][1,3]thiazol-2-one

3H-thieno[2,3-d][1,3]thiazol-2-one (PubChem CID 14024712) has the molecular formula C5H3NOS2 and a molecular weight of 157.22 g/mol. Its IUPAC name is 3H-thieno[2,3-d][1,3]thiazol-2-one.

Molecular Properties

Compound Name3H-thieno[2,3-d][1,3]thiazol-2-one
PubChem CID14024712
Molecular FormulaC5H3NOS2
Molecular Weight157.22 g/mol
Exact Mass156.97
IUPAC Name3H-thieno[2,3-d][1,3]thiazol-2-one
SMILESO=c1[nH]c2sccc2s1
InChIInChI=1S/C5H3NOS2/c7-5-6-4-3(9-5)1-2-8-4/h1-2H,(H,6,7)
InChIKeyHWEGYTBRBZRVQB-UHFFFAOYSA-N
XLogP1.65
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-thieno[2,3-d][1,3]thiazol-2-one?
The IUPAC name of 3H-thieno[2,3-d][1,3]thiazol-2-one (CID 14024712) is 3H-thieno[2,3-d][1,3]thiazol-2-one.
What is the SMILES notation for 3H-thieno[2,3-d][1,3]thiazol-2-one?
The canonical SMILES for 3H-thieno[2,3-d][1,3]thiazol-2-one is O=c1[nH]c2sccc2s1.
What is the InChIKey of 3H-thieno[2,3-d][1,3]thiazol-2-one?
The InChIKey is HWEGYTBRBZRVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NOS2/c7-5-6-4-3(9-5)1-2-8-4/h1-2H,(H,6,7).
What are the key properties of 3H-thieno[2,3-d][1,3]thiazol-2-one?
3H-thieno[2,3-d][1,3]thiazol-2-one has a molecular weight of 157.22 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-thieno[2,3-d][1,3]thiazol-2-one is sourced from PubChem (CID 14024712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).