4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole

C11H8Cl3NOS — CID 80687597

IUPAC4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole
SMILESCc1cc(Cl)ccc1Oc1nc(Cl)c(CCl)s1
InChIInChI=1S/C11H8Cl3NOS/c1-6-4-7(13)2-3-8(6)16-11-15-10(14)9(5-12)17-11/h2-4H,5H2,1H3
InChIKeyFORALUZJJHIYNG-UHFFFAOYSA-N
MW308.62 g/mol
LogP5.29
Rot. Bonds3

About 4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole

4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole (PubChem CID 80687597) has the molecular formula C11H8Cl3NOS and a molecular weight of 308.62 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole
PubChem CID80687597
Molecular FormulaC11H8Cl3NOS
Molecular Weight308.62 g/mol
Exact Mass306.94
IUPAC Name4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole
SMILESCc1cc(Cl)ccc1Oc1nc(Cl)c(CCl)s1
InChIInChI=1S/C11H8Cl3NOS/c1-6-4-7(13)2-3-8(6)16-11-15-10(14)9(5-12)17-11/h2-4H,5H2,1H3
InChIKeyFORALUZJJHIYNG-UHFFFAOYSA-N
XLogP5.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.62
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol
CID 80692917
4-chloro-5-(chloromethyl)-2-(2-methoxyphenoxy)-1,3-thiazole
CID 80687231
4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole
CID 73012766
4-chloro-5-(chloromethyl)-2-(4-methoxy-2-nitrophenoxy)-1,3-thiazole
CID 80687781
[2-(2-bromo-4-methylphenoxy)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80693554
2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine
CID 66466430
2-(4-bromo-5-fluoro-2-nitrophenoxy)-4-chloro-5-(chloromethyl)-1,3-thiazole
CID 103483415
[4-chloro-2-(2,5-difluorophenoxy)-1,3-thiazol-5-yl]methanol
CID 80692426
4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde
CID 80688464
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
2-chloro-1-(chloromethyl)-4-(4-chloro-2-methylphenoxy)benzene
CID 114064510
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole (CID 80687597) is 4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole is Cc1cc(Cl)ccc1Oc1nc(Cl)c(CCl)s1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole?
The InChIKey is FORALUZJJHIYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3NOS/c1-6-4-7(13)2-3-8(6)16-11-15-10(14)9(5-12)17-11/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole?
4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole has a molecular weight of 308.62 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-2-(4-chloro-2-methylphenoxy)-1,3-thiazole is sourced from PubChem (CID 80687597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).