N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide

C12H9Cl3N2O2S — CID 171987768

IUPACN-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide
SMILESCC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1nccs1
InChIInChI=1S/C12H9Cl3N2O2S/c1-6(11(18)17-12-16-2-3-20-12)19-10-5-8(14)7(13)4-9(10)15/h2-6H,1H3,(H,16,17,18)
InChIKeyAHHAELUECOQYOQ-UHFFFAOYSA-N
MW351.64 g/mol
LogP4.51
Rot. Bonds4

About N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide

N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide (PubChem CID 171987768) has the molecular formula C12H9Cl3N2O2S and a molecular weight of 351.64 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide
PubChem CID171987768
Molecular FormulaC12H9Cl3N2O2S
Molecular Weight351.64 g/mol
Exact Mass349.95
IUPAC NameN-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide
SMILESCC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1nccs1
InChIInChI=1S/C12H9Cl3N2O2S/c1-6(11(18)17-12-16-2-3-20-12)19-10-5-8(14)7(13)4-9(10)15/h2-6H,1H3,(H,16,17,18)
InChIKeyAHHAELUECOQYOQ-UHFFFAOYSA-N
XLogP4.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide 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-(2,3-dichlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 43077311
2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4981351
2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2996131
(2R)-2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 7380218
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
(2S)-2-(4-bromo-2,6-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 40771211
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832796
(2R)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832797
2-[2-(4-chlorophenoxy)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361278

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide (CID 171987768) is N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide is CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide?
The InChIKey is AHHAELUECOQYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O2S/c1-6(11(18)17-12-16-2-3-20-12)19-10-5-8(14)7(13)4-9(10)15/h2-6H,1H3,(H,16,17,18).
What are the key properties of N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide?
N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide has a molecular weight of 351.64 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-(2,4,5-trichlorophenoxy)propanamide is sourced from PubChem (CID 171987768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).