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

C6H9N3O2S — CID 14044106

IUPAC2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
SMILESNN1C(=O)C2CSCCN2C1=O
InChIInChI=1S/C6H9N3O2S/c7-9-5(10)4-3-12-2-1-8(4)6(9)11/h4H,1-3,7H2
InChIKeyFKXGUGWKDOTWPP-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.76
Rot. Bonds

About 2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione

2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione (PubChem CID 14044106) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione.

Molecular Properties

Compound Name2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
PubChem CID14044106
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
SMILESNN1C(=O)C2CSCCN2C1=O
InChIInChI=1S/C6H9N3O2S/c7-9-5(10)4-3-12-2-1-8(4)6(9)11/h4H,1-3,7H2
InChIKeyFKXGUGWKDOTWPP-UHFFFAOYSA-N
XLogP-0.76
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The IUPAC name of 2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione (CID 14044106) is 2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione.
What is the SMILES notation for 2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The canonical SMILES for 2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione is NN1C(=O)C2CSCCN2C1=O.
What is the InChIKey of 2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The InChIKey is FKXGUGWKDOTWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-9-5(10)4-3-12-2-1-8(4)6(9)11/h4H,1-3,7H2.
What are the key properties of 2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione has a molecular weight of 187.22 g/mol, XLogP of -0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione is sourced from PubChem (CID 14044106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).