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

C13H12Cl2N2O2S — CID 119033150

IUPAC2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O2S/c1-7-13(20-6-16-7)17-12(18)8(2)19-11-4-3-9(14)5-10(11)15/h3-6,8H,1-2H3,(H,17,18)
InChIKeyXQCPLOOFAIOBNF-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.16
Rot. Bonds4

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

2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 119033150) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID119033150
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1ncsc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O2S/c1-7-13(20-6-16-7)17-12(18)8(2)19-11-4-3-9(14)5-10(11)15/h3-6,8H,1-2H3,(H,17,18)
InChIKeyXQCPLOOFAIOBNF-UHFFFAOYSA-N
XLogP4.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 100647396
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
(2S)-2-(2,4-dichlorophenoxy)-N-(4-methylpyrimidin-2-yl)propanamide
CID 1094229
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
N-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2939243
methyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7289997
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-pyridinyl)propanamide
CID 4097411
2-(2,4-dichlorophenoxy)-N-(4,6-dichloropyrimidin-2-yl)propanamide
CID 141112918
(2S)-2-(2,4-dichlorophenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 6922800

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 119033150) is 2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1ncsc1NC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is XQCPLOOFAIOBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-7-13(20-6-16-7)17-12(18)8(2)19-11-4-3-9(14)5-10(11)15/h3-6,8H,1-2H3,(H,17,18).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide?
2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 331.22 g/mol, XLogP of 4.16, 4 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-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 119033150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).