methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate

C19H13F3N2O3S — CID 3448489

IUPACmethyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C19H13F3N2O3S/c1-27-17(26)12-7-5-11(6-8-12)15-10-28-18(23-15)24-16(25)13-3-2-4-14(9-13)19(20,21)22/h2-10H,1H3,(H,23,24,25)
InChIKeySMYXVKWUXFMCJO-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.87
Rot. Bonds4

About methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate

methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate (PubChem CID 3448489) has the molecular formula C19H13F3N2O3S and a molecular weight of 406.39 g/mol. Its IUPAC name is methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate
PubChem CID3448489
Molecular FormulaC19H13F3N2O3S
Molecular Weight406.39 g/mol
Exact Mass406.06
IUPAC Namemethyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C19H13F3N2O3S/c1-27-17(26)12-7-5-11(6-8-12)15-10-28-18(23-15)24-16(25)13-3-2-4-14(9-13)19(20,21)22/h2-10H,1H3,(H,23,24,25)
InChIKeySMYXVKWUXFMCJO-UHFFFAOYSA-N
XLogP4.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate?
The IUPAC name of methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate (CID 3448489) is methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate.
What is the SMILES notation for methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate?
The canonical SMILES for methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate is COC(=O)c1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate?
The InChIKey is SMYXVKWUXFMCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3S/c1-27-17(26)12-7-5-11(6-8-12)15-10-28-18(23-15)24-16(25)13-3-2-4-14(9-13)19(20,21)22/h2-10H,1H3,(H,23,24,25).
What are the key properties of methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate?
methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate has a molecular weight of 406.39 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]benzoate is sourced from PubChem (CID 3448489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).