N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide

C12H12Cl2N4O2S — CID 154769744

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide
SMILESO=C(COc1ccsn1)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N4O2S/c13-8-5-9(14)12(17-6-8)16-3-2-15-10(19)7-20-11-1-4-21-18-11/h1,4-6H,2-3,7H2,(H,15,19)(H,16,17)
InChIKeyIMORUAHCSNPMLK-UHFFFAOYSA-N
MW347.23 g/mol
LogP2.45
Rot. Bonds7

About N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide (PubChem CID 154769744) has the molecular formula C12H12Cl2N4O2S and a molecular weight of 347.23 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide
PubChem CID154769744
Molecular FormulaC12H12Cl2N4O2S
Molecular Weight347.23 g/mol
Exact Mass346.01
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide
SMILESO=C(COc1ccsn1)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N4O2S/c13-8-5-9(14)12(17-6-8)16-3-2-15-10(19)7-20-11-1-4-21-18-11/h1,4-6H,2-3,7H2,(H,15,19)(H,16,17)
InChIKeyIMORUAHCSNPMLK-UHFFFAOYSA-N
XLogP2.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)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-cyclohexyloxy-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]acetamide
CID 87018159
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78878862
2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride
CID 18526045
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55723423
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
CID 47061417
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 86991618
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110894418
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55723238
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120991
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78878860

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide (CID 154769744) is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide is O=C(COc1ccsn1)NCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide?
The InChIKey is IMORUAHCSNPMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2S/c13-8-5-9(14)12(17-6-8)16-3-2-15-10(19)7-20-11-1-4-21-18-11/h1,4-6H,2-3,7H2,(H,15,19)(H,16,17).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide?
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide has a molecular weight of 347.23 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(1,2-thiazol-3-yloxy)acetamide is sourced from PubChem (CID 154769744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).