methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate

C26H23F3N2O3S — CID 59113684

IUPACmethyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate
SMILESCOC(=O)C(Cc1ccc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1)n1cccc1
InChIInChI=1S/C26H23F3N2O3S/c1-17-23(35-24(30-17)19-7-9-20(10-8-19)26(27,28)29)16-34-21-11-5-18(6-12-21)15-22(25(32)33-2)31-13-3-4-14-31/h3-14,22H,15-16H2,1-2H3
InChIKeyGXHYQEIEOPSXMQ-UHFFFAOYSA-N
MW500.54 g/mol
LogP6.47
Rot. Bonds8

About methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate

methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate (PubChem CID 59113684) has the molecular formula C26H23F3N2O3S and a molecular weight of 500.54 g/mol. Its IUPAC name is methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate
PubChem CID59113684
Molecular FormulaC26H23F3N2O3S
Molecular Weight500.54 g/mol
Exact Mass500.14
IUPAC Namemethyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate
SMILESCOC(=O)C(Cc1ccc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1)n1cccc1
InChIInChI=1S/C26H23F3N2O3S/c1-17-23(35-24(30-17)19-7-9-20(10-8-19)26(27,28)29)16-34-21-11-5-18(6-12-21)15-22(25(32)33-2)31-13-3-4-14-31/h3-14,22H,15-16H2,1-2H3
InChIKeyGXHYQEIEOPSXMQ-UHFFFAOYSA-N
XLogP6.47
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.54
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate 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 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate?
The IUPAC name of methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate (CID 59113684) is methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate.
What is the SMILES notation for methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate?
The canonical SMILES for methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate is COC(=O)C(Cc1ccc(OCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1)n1cccc1.
What is the InChIKey of methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate?
The InChIKey is GXHYQEIEOPSXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O3S/c1-17-23(35-24(30-17)19-7-9-20(10-8-19)26(27,28)29)16-34-21-11-5-18(6-12-21)15-22(25(32)33-2)31-13-3-4-14-31/h3-14,22H,15-16H2,1-2H3.
What are the key properties of methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate?
methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate has a molecular weight of 500.54 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-2-pyrrol-1-ylpropanoate is sourced from PubChem (CID 59113684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).