4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole

C11H10ClNOS — CID 2517656

IUPAC4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(CCl)cs2)cc1
InChIInChI=1S/C11H10ClNOS/c1-14-10-4-2-8(3-5-10)11-13-9(6-12)7-15-11/h2-5,7H,6H2,1H3
InChIKeyQUGNZVWIWYZXEC-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.56
Rot. Bonds3

About 4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole

4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 2517656) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole
PubChem CID2517656
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(CCl)cs2)cc1
InChIInChI=1S/C11H10ClNOS/c1-14-10-4-2-8(3-5-10)11-13-9(6-12)7-15-11/h2-5,7H,6H2,1H3
InChIKeyQUGNZVWIWYZXEC-UHFFFAOYSA-N
XLogP3.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.56
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-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole (CID 2517656) is 4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2nc(CCl)cs2)cc1.
What is the InChIKey of 4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is QUGNZVWIWYZXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c1-14-10-4-2-8(3-5-10)11-13-9(6-12)7-15-11/h2-5,7H,6H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole?
4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 239.73 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 2517656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).