6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione

C12H9F3N2O3S — CID 2822707

IUPAC6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione
SMILESO=C1C2SCCN2C(=O)N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O3S/c13-12(14,15)20-8-3-1-7(2-4-8)17-9(18)10-16(11(17)19)5-6-21-10/h1-4,10H,5-6H2
InChIKeyRJNMSDBMAJZFNT-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.43
Rot. Bonds2

About 6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione

6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione (PubChem CID 2822707) has the molecular formula C12H9F3N2O3S and a molecular weight of 318.28 g/mol. Its IUPAC name is 6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione
PubChem CID2822707
Molecular FormulaC12H9F3N2O3S
Molecular Weight318.28 g/mol
Exact Mass318.03
IUPAC Name6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione
SMILESO=C1C2SCCN2C(=O)N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O3S/c13-12(14,15)20-8-3-1-7(2-4-8)17-9(18)10-16(11(17)19)5-6-21-10/h1-4,10H,5-6H2
InChIKeyRJNMSDBMAJZFNT-UHFFFAOYSA-N
XLogP2.43
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(trifluoromethyl)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione
CID 134101252
(3aR,7aS)-2-[4-(trifluoromethoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98353834
(1S,5R)-1,8,8-trimethyl-3-[4-(trifluoromethoxy)phenyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 2190599
(5R)-5-piperidin-1-yl-3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 7298513
4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one
CID 171061640
7-[4-(trifluoromethoxy)phenyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 115564979
(2S,6S,8R,12S)-1,14-dimethyl-4,10-bis[4-(trifluoromethoxy)phenyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 97292252
(2S,6S,8S,12R)-1,14-dimethyl-4,10-bis[4-(trifluoromethoxy)phenyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 99935340
(1R,2S,6R,7S)-8-methyl-4-[4-(trifluoromethoxy)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 7218250
(6S,7aS)-6-bromo-2-[4-(trifluoromethoxy)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 86673574
1-propyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 115564944
(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 98263453

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione?
The IUPAC name of 6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione (CID 2822707) is 6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione.
What is the SMILES notation for 6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione?
The canonical SMILES for 6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione is O=C1C2SCCN2C(=O)N1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione?
The InChIKey is RJNMSDBMAJZFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3S/c13-12(14,15)20-8-3-1-7(2-4-8)17-9(18)10-16(11(17)19)5-6-21-10/h1-4,10H,5-6H2.
What are the key properties of 6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione?
6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione has a molecular weight of 318.28 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethoxy)phenyl]-3,7a-dihydro-2H-imidazo[5,1-b][1,3]thiazole-5,7-dione is sourced from PubChem (CID 2822707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).