(7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

C13H11F3N2O2S — CID 110191703

IUPAC(7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1[C@@H]2CSCN2C(=O)N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)9-3-1-2-8(4-9)5-17-11(19)10-6-21-7-18(10)12(17)20/h1-4,10H,5-7H2/t10-/m0/s1
InChIKeyIGXFVWNIJJMHOI-JTQLQIEISA-N
MW316.30 g/mol
LogP2.54
Rot. Bonds2

About (7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione

(7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (PubChem CID 110191703) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is (7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.

Molecular Properties

Compound Name(7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
PubChem CID110191703
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name(7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione
SMILESO=C1[C@@H]2CSCN2C(=O)N1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)9-3-1-2-8(4-9)5-17-11(19)10-6-21-7-18(10)12(17)20/h1-4,10H,5-7H2/t10-/m0/s1
InChIKeyIGXFVWNIJJMHOI-JTQLQIEISA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-[[3-(trifluoromethyl)phenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 176730709
2-[[3-(trifluoromethyl)phenyl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 47004139
1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 141283536
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CID 115009877
1-methyl-2-sulfanylidene-3-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-4-one
CID 169159945
2-[3-(trifluoromethyl)phenyl]-5,6,8,8a-tetrahydroimidazo[5,1-c][1,4]thiazine-1,3-dione
CID 82905845
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CID 174649113
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CID 72852920
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Frequently Asked Questions

What is the IUPAC name of (7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The IUPAC name of (7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione (CID 110191703) is (7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione.
What is the SMILES notation for (7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The canonical SMILES for (7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is O=C1[C@@H]2CSCN2C(=O)N1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
The InChIKey is IGXFVWNIJJMHOI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c14-13(15,16)9-3-1-2-8(4-9)5-17-11(19)10-6-21-7-18(10)12(17)20/h1-4,10H,5-7H2/t10-/m0/s1.
What are the key properties of (7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione?
(7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione has a molecular weight of 316.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-6-[[3-(trifluoromethyl)phenyl]methyl]-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione is sourced from PubChem (CID 110191703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).