2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine

C6H7NS2 — CID 12578179

IUPAC2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine
SMILESc1cc2c(s1)SCCN2
InChIInChI=1S/C6H7NS2/c1-3-8-6-5(1)7-2-4-9-6/h1,3,7H,2,4H2
InChIKeyXBSSUNBDWFNRJS-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.27
Rot. Bonds

About 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine

2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine (PubChem CID 12578179) has the molecular formula C6H7NS2 and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine.

Molecular Properties

Compound Name2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine
PubChem CID12578179
Molecular FormulaC6H7NS2
Molecular Weight157.26 g/mol
Exact Mass157.00
IUPAC Name2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine
SMILESc1cc2c(s1)SCCN2
InChIInChI=1S/C6H7NS2/c1-3-8-6-5(1)7-2-4-9-6/h1,3,7H,2,4H2
InChIKeyXBSSUNBDWFNRJS-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine?
The IUPAC name of 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine (CID 12578179) is 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine.
What is the SMILES notation for 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine?
The canonical SMILES for 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine is c1cc2c(s1)SCCN2.
What is the InChIKey of 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine?
The InChIKey is XBSSUNBDWFNRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS2/c1-3-8-6-5(1)7-2-4-9-6/h1,3,7H,2,4H2.
What are the key properties of 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine?
2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine has a molecular weight of 157.26 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-thieno[2,3-b][1,4]thiazine is sourced from PubChem (CID 12578179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).