5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione

C6H8N2O2S — CID 13493896

IUPAC5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
SMILESO=C1NC(=O)N2CCSCC12
InChIInChI=1S/C6H8N2O2S/c9-5-4-3-11-2-1-8(4)6(10)7-5/h4H,1-3H2,(H,7,9,10)
InChIKeyRTDSMBPTGKBHCO-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.35
Rot. Bonds

About 5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione

5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione (PubChem CID 13493896) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione.

Molecular Properties

Compound Name5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
PubChem CID13493896
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
SMILESO=C1NC(=O)N2CCSCC12
InChIInChI=1S/C6H8N2O2S/c9-5-4-3-11-2-1-8(4)6(10)7-5/h4H,1-3H2,(H,7,9,10)
InChIKeyRTDSMBPTGKBHCO-UHFFFAOYSA-N
XLogP-0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

CID 3074209
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CID 14044106
CID 14044106
CID 101424333
CID 101424333
CID 129785043
CID 129785043
CID 116013200
CID 116013200
CID 11206431
CID 11206431
CID 11436202
CID 11436202
CID 11788693
CID 11788693
CID 13493892
CID 13493892
CID 22218826
CID 22218826
CID 82906268
CID 82906268
CID 130665268
CID 130665268

Frequently Asked Questions

What is the IUPAC name of 5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The IUPAC name of 5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione (CID 13493896) is 5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione.
What is the SMILES notation for 5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The canonical SMILES for 5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione is O=C1NC(=O)N2CCSCC12.
What is the InChIKey of 5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The InChIKey is RTDSMBPTGKBHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c9-5-4-3-11-2-1-8(4)6(10)7-5/h4H,1-3H2,(H,7,9,10).
What are the key properties of 5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione has a molecular weight of 172.21 g/mol, XLogP of -0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione is sourced from PubChem (CID 13493896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).