1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione

C12H14F3N3O2S — CID 167818807

IUPAC1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(=O)N(Cc2cnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C12H14F3N3O2S/c1-7(2)17-4-3-9(19)18(11(17)20)6-8-5-16-10(21-8)12(13,14)15/h5,7H,3-4,6H2,1-2H3
InChIKeyYOPZXIQTFNPSFU-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.72
Rot. Bonds3

About 1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione

1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione (PubChem CID 167818807) has the molecular formula C12H14F3N3O2S and a molecular weight of 321.32 g/mol. Its IUPAC name is 1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione
PubChem CID167818807
Molecular FormulaC12H14F3N3O2S
Molecular Weight321.32 g/mol
Exact Mass321.08
IUPAC Name1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(=O)N(Cc2cnc(C(F)(F)F)s2)C1=O
InChIInChI=1S/C12H14F3N3O2S/c1-7(2)17-4-3-9(19)18(11(17)20)6-8-5-16-10(21-8)12(13,14)15/h5,7H,3-4,6H2,1-2H3
InChIKeyYOPZXIQTFNPSFU-UHFFFAOYSA-N
XLogP2.72
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione (CID 167818807) is 1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione is CC(C)N1CCC(=O)N(Cc2cnc(C(F)(F)F)s2)C1=O.
What is the InChIKey of 1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione?
The InChIKey is YOPZXIQTFNPSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2S/c1-7(2)17-4-3-9(19)18(11(17)20)6-8-5-16-10(21-8)12(13,14)15/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione?
1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione has a molecular weight of 321.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167818807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).