carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one

C16H14F3N3O3S — CID 158174374

IUPACcarbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
SMILESCc1csc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)n1.O=C=O
InChIInChI=1S/C15H14F3N3OS.CO2/c1-10-9-23-13(19-10)21-7-6-20(14(21)22)8-11-2-4-12(5-3-11)15(16,17)18;2-1-3/h2-5,9H,6-8H2,1H3;
InChIKeyFXVFUSBIJFYFLV-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.33
Rot. Bonds3

About carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one

carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one (PubChem CID 158174374) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Namecarbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
PubChem CID158174374
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Namecarbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
SMILESCc1csc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)n1.O=C=O
InChIInChI=1S/C15H14F3N3OS.CO2/c1-10-9-23-13(19-10)21-7-6-20(14(21)22)8-11-2-4-12(5-3-11)15(16,17)18;2-1-3/h2-5,9H,6-8H2,1H3;
InChIKeyFXVFUSBIJFYFLV-UHFFFAOYSA-N
XLogP3.33
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The IUPAC name of carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one (CID 158174374) is carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The canonical SMILES for carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one is Cc1csc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)n1.O=C=O.
What is the InChIKey of carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
The InChIKey is FXVFUSBIJFYFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3OS.CO2/c1-10-9-23-13(19-10)21-7-6-20(14(21)22)8-11-2-4-12(5-3-11)15(16,17)18;2-1-3/h2-5,9H,6-8H2,1H3;.
What are the key properties of carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one?
carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one has a molecular weight of 385.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-(4-methyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 158174374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).