N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C19H13Cl2F3N2O2S — CID 3124798

IUPACN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C19H13Cl2F3N2O2S/c20-13-4-5-16(21)11(6-13)7-15-9-25-18(29-15)26-17(27)10-28-14-3-1-2-12(8-14)19(22,23)24/h1-6,8-9H,7,10H2,(H,25,26,27)
InChIKeyMQSIVSOHIMZZIQ-UHFFFAOYSA-N
MW461.29 g/mol
LogP6.08
Rot. Bonds6

About N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 3124798) has the molecular formula C19H13Cl2F3N2O2S and a molecular weight of 461.29 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID3124798
Molecular FormulaC19H13Cl2F3N2O2S
Molecular Weight461.29 g/mol
Exact Mass460.00
IUPAC NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C19H13Cl2F3N2O2S/c20-13-4-5-16(21)11(6-13)7-15-9-25-18(29-15)26-17(27)10-28-14-3-1-2-12(8-14)19(22,23)24/h1-6,8-9H,7,10H2,(H,25,26,27)
InChIKeyMQSIVSOHIMZZIQ-UHFFFAOYSA-N
XLogP6.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.29
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide 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 N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 3124798) is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is MQSIVSOHIMZZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F3N2O2S/c20-13-4-5-16(21)11(6-13)7-15-9-25-18(29-15)26-17(27)10-28-14-3-1-2-12(8-14)19(22,23)24/h1-6,8-9H,7,10H2,(H,25,26,27).
What are the key properties of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 461.29 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 3124798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).