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

C13H12Cl2N2O2S — CID 110717511

IUPAC2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCc1cncs1
InChIInChI=1S/C13H12Cl2N2O2S/c14-9-1-2-12(11(15)5-9)19-7-13(18)17-4-3-10-6-16-8-20-10/h1-2,5-6,8H,3-4,7H2,(H,17,18)
InChIKeyBNMWMHUNJGACTQ-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.19
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide (PubChem CID 110717511) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
PubChem CID110717511
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCc1cncs1
InChIInChI=1S/C13H12Cl2N2O2S/c14-9-1-2-12(11(15)5-9)19-7-13(18)17-4-3-10-6-16-8-20-10/h1-2,5-6,8H,3-4,7H2,(H,17,18)
InChIKeyBNMWMHUNJGACTQ-UHFFFAOYSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)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

Related Compounds

2-phenoxy-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717509
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 108541628
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 8990848
2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 9188783
2-(2,4-dichlorophenoxy)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 54773872
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
2-(2,4-dichlorophenoxy)-N-(6-oxohexyl)acetamide
CID 89195114
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
CID 6498608
2-(2,4-dichlorophenoxy)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)acetamide
CID 110661578
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide (CID 110717511) is 2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCc1cncs1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide?
The InChIKey is BNMWMHUNJGACTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c14-9-1-2-12(11(15)5-9)19-7-13(18)17-4-3-10-6-16-8-20-10/h1-2,5-6,8H,3-4,7H2,(H,17,18).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide has a molecular weight of 331.22 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 110717511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).