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

C15H17FN2O2S — CID 110718363

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide
SMILESCc1nc(C)c(CCNC(=O)COc2cccc(F)c2)s1
InChIInChI=1S/C15H17FN2O2S/c1-10-14(21-11(2)18-10)6-7-17-15(19)9-20-13-5-3-4-12(16)8-13/h3-5,8H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyXMCWLHOPBUEFIQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.64
Rot. Bonds6

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

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide (PubChem CID 110718363) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide
PubChem CID110718363
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide
SMILESCc1nc(C)c(CCNC(=O)COc2cccc(F)c2)s1
InChIInChI=1S/C15H17FN2O2S/c1-10-14(21-11(2)18-10)6-7-17-15(19)9-20-13-5-3-4-12(16)8-13/h3-5,8H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyXMCWLHOPBUEFIQ-UHFFFAOYSA-N
XLogP2.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110718805
2-(3-fluorophenoxy)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718629
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenoxypropanamide
CID 110395095
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide
CID 7222725
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110678832
N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110788271
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)acetamide
CID 121122800
2-(3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 9008020
2-(3-fluorophenoxy)-N-[2-(phenylsulfamoyl)ethyl]acetamide
CID 110660211
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-fluorobenzamide
CID 121122551

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide (CID 110718363) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide is Cc1nc(C)c(CCNC(=O)COc2cccc(F)c2)s1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is XMCWLHOPBUEFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-14(21-11(2)18-10)6-7-17-15(19)9-20-13-5-3-4-12(16)8-13/h3-5,8H,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 308.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 110718363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).