methyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate

C15H13F3N2O4S — CID 59533413

IUPACmethyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(OC)c(C)c1NC(=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C15H13F3N2O4S/c1-7-9(23-2)5-4-8(14(22)24-3)11(7)20-12(21)13-19-10(6-25-13)15(16,17)18/h4-6H,1-3H3,(H,20,21)
InChIKeyZKQWVPMKJMQABS-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.52
Rot. Bonds4

About methyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate

methyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate (PubChem CID 59533413) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is methyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate
PubChem CID59533413
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Namemethyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(OC)c(C)c1NC(=O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C15H13F3N2O4S/c1-7-9(23-2)5-4-8(14(22)24-3)11(7)20-12(21)13-19-10(6-25-13)15(16,17)18/h4-6H,1-3H3,(H,20,21)
InChIKeyZKQWVPMKJMQABS-UHFFFAOYSA-N
XLogP3.52
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate (CID 59533413) is methyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate is COC(=O)c1ccc(OC)c(C)c1NC(=O)c1nc(C(F)(F)F)cs1.
What is the InChIKey of methyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate?
The InChIKey is ZKQWVPMKJMQABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-7-9(23-2)5-4-8(14(22)24-3)11(7)20-12(21)13-19-10(6-25-13)15(16,17)18/h4-6H,1-3H3,(H,20,21).
What are the key properties of methyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate?
methyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate has a molecular weight of 374.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-methyl-2-[[4-(trifluoromethyl)-1,3-thiazole-2-carbonyl]amino]benzoate is sourced from PubChem (CID 59533413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).