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

C9H14N2O2S — CID 82906268

IUPAC2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
SMILESCC(C)N1C(=O)C2CSCCN2C1=O
InChIInChI=1S/C9H14N2O2S/c1-6(2)11-8(12)7-5-14-4-3-10(7)9(11)13/h6-7H,3-5H2,1-2H3
InChIKeySXVRGSQUVYTVPS-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.77
Rot. Bonds1

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

2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione (PubChem CID 82906268) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione.

Molecular Properties

Compound Name2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
PubChem CID82906268
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
SMILESCC(C)N1C(=O)C2CSCCN2C1=O
InChIInChI=1S/C9H14N2O2S/c1-6(2)11-8(12)7-5-14-4-3-10(7)9(11)13/h6-7H,3-5H2,1-2H3
InChIKeySXVRGSQUVYTVPS-UHFFFAOYSA-N
XLogP0.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The IUPAC name of 2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione (CID 82906268) is 2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione.
What is the SMILES notation for 2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The canonical SMILES for 2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione is CC(C)N1C(=O)C2CSCCN2C1=O.
What is the InChIKey of 2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
The InChIKey is SXVRGSQUVYTVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(2)11-8(12)7-5-14-4-3-10(7)9(11)13/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione?
2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione has a molecular weight of 214.29 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione is sourced from PubChem (CID 82906268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).