thieno[3,2-d][1,3]thiazin-4-one

C6H3NOS2 — CID 66841372

IUPACthieno[3,2-d][1,3]thiazin-4-one
SMILESO=c1scnc2ccsc12
InChIInChI=1S/C6H3NOS2/c8-6-5-4(1-2-9-5)7-3-10-6/h1-3H
InChIKeyOBZUZFMSKYJOII-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.72
Rot. Bonds

About thieno[3,2-d][1,3]thiazin-4-one

thieno[3,2-d][1,3]thiazin-4-one (PubChem CID 66841372) has the molecular formula C6H3NOS2 and a molecular weight of 169.23 g/mol. Its IUPAC name is thieno[3,2-d][1,3]thiazin-4-one.

Molecular Properties

Compound Namethieno[3,2-d][1,3]thiazin-4-one
PubChem CID66841372
Molecular FormulaC6H3NOS2
Molecular Weight169.23 g/mol
Exact Mass168.97
IUPAC Namethieno[3,2-d][1,3]thiazin-4-one
SMILESO=c1scnc2ccsc12
InChIInChI=1S/C6H3NOS2/c8-6-5-4(1-2-9-5)7-3-10-6/h1-3H
InChIKeyOBZUZFMSKYJOII-UHFFFAOYSA-N
XLogP1.72
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-d][1,3]thiazin-4-one?
The IUPAC name of thieno[3,2-d][1,3]thiazin-4-one (CID 66841372) is thieno[3,2-d][1,3]thiazin-4-one.
What is the SMILES notation for thieno[3,2-d][1,3]thiazin-4-one?
The canonical SMILES for thieno[3,2-d][1,3]thiazin-4-one is O=c1scnc2ccsc12.
What is the InChIKey of thieno[3,2-d][1,3]thiazin-4-one?
The InChIKey is OBZUZFMSKYJOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3NOS2/c8-6-5-4(1-2-9-5)7-3-10-6/h1-3H.
What are the key properties of thieno[3,2-d][1,3]thiazin-4-one?
thieno[3,2-d][1,3]thiazin-4-one has a molecular weight of 169.23 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-d][1,3]thiazin-4-one is sourced from PubChem (CID 66841372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).