N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide

C20H18F2N2O2S — CID 46943521

IUPACN-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)(NC(C)=O)c2nc(-c3cc(F)cc(F)c3)cs2)cc1
InChIInChI=1S/C20H18F2N2O2S/c1-12(25)24-20(2,14-4-6-17(26-3)7-5-14)19-23-18(11-27-19)13-8-15(21)10-16(22)9-13/h4-11H,1-3H3,(H,24,25)
InChIKeyLRQNYYNOTGBPOB-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.50
Rot. Bonds5

About N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide

N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 46943521) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide
PubChem CID46943521
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC NameN-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(C)(NC(C)=O)c2nc(-c3cc(F)cc(F)c3)cs2)cc1
InChIInChI=1S/C20H18F2N2O2S/c1-12(25)24-20(2,14-4-6-17(26-3)7-5-14)19-23-18(11-27-19)13-8-15(21)10-16(22)9-13/h4-11H,1-3H3,(H,24,25)
InChIKeyLRQNYYNOTGBPOB-UHFFFAOYSA-N
XLogP4.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]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-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide (CID 46943521) is N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(C)(NC(C)=O)c2nc(-c3cc(F)cc(F)c3)cs2)cc1.
What is the InChIKey of N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is LRQNYYNOTGBPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c1-12(25)24-20(2,14-4-6-17(26-3)7-5-14)19-23-18(11-27-19)13-8-15(21)10-16(22)9-13/h4-11H,1-3H3,(H,24,25).
What are the key properties of N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide?
N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 388.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,5-difluorophenyl)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 46943521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).