2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C12H12F3N3O2S — CID 154738187

IUPAC2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H12F3N3O2S/c13-12(14,15)8-6-21-9(16-8)5-18-10(19)7-3-1-2-4-17(7)11(18)20/h6-7H,1-5H2
InChIKeyHQHVUVLUJUDVTE-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.48
Rot. Bonds2

About 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 154738187) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID154738187
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC Name2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESO=C1C2CCCCN2C(=O)N1Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H12F3N3O2S/c13-12(14,15)8-6-21-9(16-8)5-18-10(19)7-3-1-2-4-17(7)11(18)20/h6-7H,1-5H2
InChIKeyHQHVUVLUJUDVTE-UHFFFAOYSA-N
XLogP2.48
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 154738187) is 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is O=C1C2CCCCN2C(=O)N1Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is HQHVUVLUJUDVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c13-12(14,15)8-6-21-9(16-8)5-18-10(19)7-3-1-2-4-17(7)11(18)20/h6-7H,1-5H2.
What are the key properties of 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 319.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 154738187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).