5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole

C11H9ClFNS2 — CID 66084449

IUPAC5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESFc1ccccc1SCc1ncc(CCl)s1
InChIInChI=1S/C11H9ClFNS2/c12-5-8-6-14-11(16-8)7-15-10-4-2-1-3-9(10)13/h1-4,6H,5,7H2
InChIKeyWEOMOZGOBMVDCU-UHFFFAOYSA-N
MW273.78 g/mol
LogP4.31
Rot. Bonds4

About 5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole

5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole (PubChem CID 66084449) has the molecular formula C11H9ClFNS2 and a molecular weight of 273.78 g/mol. Its IUPAC name is 5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole
PubChem CID66084449
Molecular FormulaC11H9ClFNS2
Molecular Weight273.78 g/mol
Exact Mass272.98
IUPAC Name5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESFc1ccccc1SCc1ncc(CCl)s1
InChIInChI=1S/C11H9ClFNS2/c12-5-8-6-14-11(16-8)7-15-10-4-2-1-3-9(10)13/h1-4,6H,5,7H2
InChIKeyWEOMOZGOBMVDCU-UHFFFAOYSA-N
XLogP4.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 54.31
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 5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole (CID 66084449) is 5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole is Fc1ccccc1SCc1ncc(CCl)s1.
What is the InChIKey of 5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is WEOMOZGOBMVDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS2/c12-5-8-6-14-11(16-8)7-15-10-4-2-1-3-9(10)13/h1-4,6H,5,7H2.
What are the key properties of 5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 273.78 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 66084449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).