methyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate

C15H11ClF3NO4S — CID 142566695

IUPACmethyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate
SMILESCO/C=C(/C(=O)OC)c1ccccc1Oc1nc(Cl)c(C(F)(F)F)s1
InChIInChI=1S/C15H11ClF3NO4S/c1-22-7-9(13(21)23-2)8-5-3-4-6-10(8)24-14-20-12(16)11(25-14)15(17,18)19/h3-7H,1-2H3/b9-7+
InChIKeyUNOQEJPMCMGSJJ-VQHVLOKHSA-N
MW393.77 g/mol
LogP4.77
Rot. Bonds5

About methyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate

methyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate (PubChem CID 142566695) has the molecular formula C15H11ClF3NO4S and a molecular weight of 393.77 g/mol. Its IUPAC name is methyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate
PubChem CID142566695
Molecular FormulaC15H11ClF3NO4S
Molecular Weight393.77 g/mol
Exact Mass393.00
IUPAC Namemethyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate
SMILESCO/C=C(/C(=O)OC)c1ccccc1Oc1nc(Cl)c(C(F)(F)F)s1
InChIInChI=1S/C15H11ClF3NO4S/c1-22-7-9(13(21)23-2)8-5-3-4-6-10(8)24-14-20-12(16)11(25-14)15(17,18)19/h3-7H,1-2H3/b9-7+
InChIKeyUNOQEJPMCMGSJJ-VQHVLOKHSA-N
XLogP4.77
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.77
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate 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 (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate?
The IUPAC name of methyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate (CID 142566695) is methyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate?
The canonical SMILES for methyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate is CO/C=C(/C(=O)OC)c1ccccc1Oc1nc(Cl)c(C(F)(F)F)s1.
What is the InChIKey of methyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate?
The InChIKey is UNOQEJPMCMGSJJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H11ClF3NO4S/c1-22-7-9(13(21)23-2)8-5-3-4-6-10(8)24-14-20-12(16)11(25-14)15(17,18)19/h3-7H,1-2H3/b9-7+.
What are the key properties of methyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate?
methyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate has a molecular weight of 393.77 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-[2-[[4-chloro-5-(trifluoromethyl)-1,3-thiazol-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate is sourced from PubChem (CID 142566695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).