methyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate

C15H10F3N3O3S — CID 68709759

IUPACmethyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ncn3c(C(F)(F)F)csc23)cc1
InChIInChI=1S/C15H10F3N3O3S/c1-24-14(23)9-4-2-8(3-5-9)12(22)20-11-13-21(7-19-11)10(6-25-13)15(16,17)18/h2-7H,1H3,(H,20,22)
InChIKeyUVRHOYGUBDBGIY-UHFFFAOYSA-N
MW369.32 g/mol
LogP3.45
Rot. Bonds3

About methyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate

methyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate (PubChem CID 68709759) has the molecular formula C15H10F3N3O3S and a molecular weight of 369.32 g/mol. Its IUPAC name is methyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate
PubChem CID68709759
Molecular FormulaC15H10F3N3O3S
Molecular Weight369.32 g/mol
Exact Mass369.04
IUPAC Namemethyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ncn3c(C(F)(F)F)csc23)cc1
InChIInChI=1S/C15H10F3N3O3S/c1-24-14(23)9-4-2-8(3-5-9)12(22)20-11-13-21(7-19-11)10(6-25-13)15(16,17)18/h2-7H,1H3,(H,20,22)
InChIKeyUVRHOYGUBDBGIY-UHFFFAOYSA-N
XLogP3.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate (CID 68709759) is methyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ncn3c(C(F)(F)F)csc23)cc1.
What is the InChIKey of methyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate?
The InChIKey is UVRHOYGUBDBGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3S/c1-24-14(23)9-4-2-8(3-5-9)12(22)20-11-13-21(7-19-11)10(6-25-13)15(16,17)18/h2-7H,1H3,(H,20,22).
What are the key properties of methyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate?
methyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate has a molecular weight of 369.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(trifluoromethyl)imidazo[5,1-b][1,3]thiazol-7-yl]carbamoyl]benzoate is sourced from PubChem (CID 68709759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).