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

C11H9Cl2NOS — CID 73012766

IUPAC4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole
SMILESCc1ccc(Oc2nc(Cl)c(CCl)s2)cc1
InChIInChI=1S/C11H9Cl2NOS/c1-7-2-4-8(5-3-7)15-11-14-10(13)9(6-12)16-11/h2-5H,6H2,1H3
InChIKeyKUHMKLBXSCVAMG-UHFFFAOYSA-N
MW274.17 g/mol
LogP4.64
Rot. Bonds3

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

4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole (PubChem CID 73012766) has the molecular formula C11H9Cl2NOS and a molecular weight of 274.17 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole
PubChem CID73012766
Molecular FormulaC11H9Cl2NOS
Molecular Weight274.17 g/mol
Exact Mass272.98
IUPAC Name4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole
SMILESCc1ccc(Oc2nc(Cl)c(CCl)s2)cc1
InChIInChI=1S/C11H9Cl2NOS/c1-7-2-4-8(5-3-7)15-11-14-10(13)9(6-12)16-11/h2-5H,6H2,1H3
InChIKeyKUHMKLBXSCVAMG-UHFFFAOYSA-N
XLogP4.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole?
The IUPAC name of 4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole (CID 73012766) is 4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole is Cc1ccc(Oc2nc(Cl)c(CCl)s2)cc1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole?
The InChIKey is KUHMKLBXSCVAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NOS/c1-7-2-4-8(5-3-7)15-11-14-10(13)9(6-12)16-11/h2-5H,6H2,1H3.
What are the key properties of 4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole?
4-chloro-5-(chloromethyl)-2-(4-methylphenoxy)-1,3-thiazole has a molecular weight of 274.17 g/mol, XLogP of 4.64, 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-methylphenoxy)-1,3-thiazole is sourced from PubChem (CID 73012766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).