4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole

C14H16ClNO2S — CID 43138224

IUPAC4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole
SMILESCCOc1ccccc1OCCc1nc(CCl)cs1
InChIInChI=1S/C14H16ClNO2S/c1-2-17-12-5-3-4-6-13(12)18-8-7-14-16-11(9-15)10-19-14/h3-6,10H,2,7-9H2,1H3
InChIKeyISAVCGUQEDLQEM-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.90
Rot. Bonds7

About 4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole

4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole (PubChem CID 43138224) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole
PubChem CID43138224
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole
SMILESCCOc1ccccc1OCCc1nc(CCl)cs1
InChIInChI=1S/C14H16ClNO2S/c1-2-17-12-5-3-4-6-13(12)18-8-7-14-16-11(9-15)10-19-14/h3-6,10H,2,7-9H2,1H3
InChIKeyISAVCGUQEDLQEM-UHFFFAOYSA-N
XLogP3.90
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745513
4-(chloromethyl)-2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole
CID 43138117
2-[2-(1-bromonaphthalen-2-yl)oxyethyl]-4-(chloromethyl)-1,3-thiazole
CID 63549535
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 82193935
[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104670
4-(chloromethyl)-2-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-thiazole
CID 43169736
4-(chloromethyl)-2-[3-(2,3-difluorophenoxy)propyl]-1,3-thiazole
CID 63038533
4-(chloromethyl)-2-[2-(1-phenylethoxy)ethyl]-1,3-thiazole
CID 43320242
1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 82193855
2-[3-(2-ethoxyphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 94760687
N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82516475
4-(chloromethyl)-2-[3-(2,5-dimethylphenoxy)propyl]-1,3-thiazole
CID 43138105

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole (CID 43138224) is 4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole is CCOc1ccccc1OCCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole?
The InChIKey is ISAVCGUQEDLQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-2-17-12-5-3-4-6-13(12)18-8-7-14-16-11(9-15)10-19-14/h3-6,10H,2,7-9H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole?
4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole has a molecular weight of 297.81 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(2-ethoxyphenoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 43138224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).