N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide

C23H26FN3O2S — CID 78818770

IUPACN-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN(C)CCOc2ccc(F)cc2)cs1
InChIInChI=1S/C23H26FN3O2S/c1-4-18-7-5-6-8-22(18)27(17(2)28)23-25-20(16-30-23)15-26(3)13-14-29-21-11-9-19(24)10-12-21/h5-12,16H,4,13-15H2,1-3H3
InChIKeyAACXBETVZFDIRN-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.04
Rot. Bonds9

About N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide

N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 78818770) has the molecular formula C23H26FN3O2S and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID78818770
Molecular FormulaC23H26FN3O2S
Molecular Weight427.55 g/mol
Exact Mass427.17
IUPAC NameN-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN(C)CCOc2ccc(F)cc2)cs1
InChIInChI=1S/C23H26FN3O2S/c1-4-18-7-5-6-8-22(18)27(17(2)28)23-25-20(16-30-23)15-26(3)13-14-29-21-11-9-19(24)10-12-21/h5-12,16H,4,13-15H2,1-3H3
InChIKeyAACXBETVZFDIRN-UHFFFAOYSA-N
XLogP5.04
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]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-ethylphenyl)-N-[4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78817692
N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 8788294
N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822480
N-[4-[[4-(4-cyanophenyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 38902175
N-[4-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8694972
N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78843645
N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822809
N-[4-[(4-bromo-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 24670849
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
CID 16523844
N-[4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78817704
2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 78818462
N-[4-[[benzyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78823715

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 78818770) is N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is CCc1ccccc1N(C(C)=O)c1nc(CN(C)CCOc2ccc(F)cc2)cs1.
What is the InChIKey of N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is AACXBETVZFDIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2S/c1-4-18-7-5-6-8-22(18)27(17(2)28)23-25-20(16-30-23)15-26(3)13-14-29-21-11-9-19(24)10-12-21/h5-12,16H,4,13-15H2,1-3H3.
What are the key properties of N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N-[4-[[2-(4-fluorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78818770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).