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

C10H7ClFNS — CID 2110838

IUPAC4-(chloromethyl)-2-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2nc(CCl)cs2)cc1
InChIInChI=1S/C10H7ClFNS/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKeyHJJPMUWLLCPTRX-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.69
Rot. Bonds2

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

4-(chloromethyl)-2-(4-fluorophenyl)-1,3-thiazole (PubChem CID 2110838) has the molecular formula C10H7ClFNS and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-fluorophenyl)-1,3-thiazole
PubChem CID2110838
Molecular FormulaC10H7ClFNS
Molecular Weight227.69 g/mol
Exact Mass227.00
IUPAC Name4-(chloromethyl)-2-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2nc(CCl)cs2)cc1
InChIInChI=1S/C10H7ClFNS/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKeyHJJPMUWLLCPTRX-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluorophenyl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(4-fluorophenyl)-1,3-thiazole (CID 2110838) is 4-(chloromethyl)-2-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(4-fluorophenyl)-1,3-thiazole is Fc1ccc(-c2nc(CCl)cs2)cc1.
What is the InChIKey of 4-(chloromethyl)-2-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is HJJPMUWLLCPTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNS/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2.
What are the key properties of 4-(chloromethyl)-2-(4-fluorophenyl)-1,3-thiazole?
4-(chloromethyl)-2-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 227.69 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 2110838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).