4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole

C13H12Cl3NOS — CID 43320175

IUPAC4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole
SMILESClCc1csc(CCCOc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H12Cl3NOS/c14-7-10-8-19-13(17-10)2-1-5-18-12-4-3-9(15)6-11(12)16/h3-4,6,8H,1-2,5,7H2
InChIKeyNEEIQIHHRYUKKW-UHFFFAOYSA-N
MW336.67 g/mol
LogP5.20
Rot. Bonds6

About 4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole

4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole (PubChem CID 43320175) has the molecular formula C13H12Cl3NOS and a molecular weight of 336.67 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole
PubChem CID43320175
Molecular FormulaC13H12Cl3NOS
Molecular Weight336.67 g/mol
Exact Mass334.97
IUPAC Name4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole
SMILESClCc1csc(CCCOc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C13H12Cl3NOS/c14-7-10-8-19-13(17-10)2-1-5-18-12-4-3-9(15)6-11(12)16/h3-4,6,8H,1-2,5,7H2
InChIKeyNEEIQIHHRYUKKW-UHFFFAOYSA-N
XLogP5.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.67
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole 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

4-(chloromethyl)-2-[3-(2-fluoro-5-methylphenoxy)propyl]-1,3-thiazole
CID 64856397
4-(chloromethyl)-2-[3-(2,5-difluorophenoxy)propyl]-1,3-thiazole
CID 63269485
4-(chloromethyl)-2-[4-(2-chloro-5-methylphenoxy)butyl]-1,3-thiazole
CID 63548837
4-(chloromethyl)-2-[3-(2,5-dimethylphenoxy)propyl]-1,3-thiazole
CID 43138105
4-(chloromethyl)-2-[3-(2,3-difluorophenoxy)propyl]-1,3-thiazole
CID 63038533
4-(chloromethyl)-2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole
CID 43138117
[2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol
CID 82154477
2-[3-(3-bromo-4-fluorophenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 83234147
4-(chloromethyl)-2-[3-(3,5-difluorophenoxy)propyl]-1,3-thiazole
CID 62785809
4-(chloromethyl)-2-[3-(3,4-dimethylphenoxy)propyl]-1,3-thiazole
CID 43320166
2-[3-(4-bromo-3,5-dimethylphenoxy)propyl]-4-(chloromethyl)-1,3-thiazole
CID 107725433
4-(chloromethyl)-2-[3-(3-methylphenoxy)propyl]-1,3-thiazole
CID 43320168

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole (CID 43320175) is 4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole is ClCc1csc(CCCOc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole?
The InChIKey is NEEIQIHHRYUKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3NOS/c14-7-10-8-19-13(17-10)2-1-5-18-12-4-3-9(15)6-11(12)16/h3-4,6,8H,1-2,5,7H2.
What are the key properties of 4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole?
4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole has a molecular weight of 336.67 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[3-(2,4-dichlorophenoxy)propyl]-1,3-thiazole is sourced from PubChem (CID 43320175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).