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

C11H9ClFNS2 — CID 66052848

IUPAC4-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESFc1ccccc1SCc1nc(CCl)cs1
InChIInChI=1S/C11H9ClFNS2/c12-5-8-6-16-11(14-8)7-15-10-4-2-1-3-9(10)13/h1-4,6H,5,7H2
InChIKeyZVHFDARAGUMQRN-UHFFFAOYSA-N
MW273.78 g/mol
LogP4.31
Rot. Bonds4

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

4-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole (PubChem CID 66052848) has the molecular formula C11H9ClFNS2 and a molecular weight of 273.78 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole
PubChem CID66052848
Molecular FormulaC11H9ClFNS2
Molecular Weight273.78 g/mol
Exact Mass272.98
IUPAC Name4-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole
SMILESFc1ccccc1SCc1nc(CCl)cs1
InChIInChI=1S/C11H9ClFNS2/c12-5-8-6-16-11(14-8)7-15-10-4-2-1-3-9(10)13/h1-4,6H,5,7H2
InChIKeyZVHFDARAGUMQRN-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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Related Compounds

4-[(4-Chlorophenyl)sulfanylmethyl]-2-methyl-1,3-thiazole
CID 2806214
2-Benzyl-4-chloromethylthiazole
CID 3015874
4-(Chloromethyl)-2-[(4-fluorophenyl)methyl]-1,3-thiazole
CID 43152244
4-(chloromethyl)-2-[(E)-2-[4-(trifluoromethylsulfinyl)phenyl]ethenyl]-1,3-thiazole
CID 69290056
4-Chloromethyl-2-[2-(4-trifluoromethanesulfinyl-phenyl)-vinyl]-thiazole
CID 69290058
4-(chloromethyl)-2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1,3-thiazole
CID 69291783
4-Chloromethyl-2-[2-(4-trifluoromethylsulfanyl-phenyl)-vinyl]-thiazole
CID 69291784
4-(chloromethyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole
CID 69428678
4-Chloromethyl-2-[2-(4-trifluoromethyl-phenyl)-vinyl]-thiazole
CID 69428679
4-(chloromethyl)-2-[(E)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-thiazole
CID 142575871
4-[(4-Fluorophenyl)sulfanylmethyl]-1,3-thiazole
CID 155030852
4-(chloromethyl)-2-[(E)-2-(2-fluoro-4-methylphenyl)ethenyl]-1,3-thiazole
CID 163778811

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole (CID 66052848) is 4-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole is Fc1ccccc1SCc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is ZVHFDARAGUMQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS2/c12-5-8-6-16-11(14-8)7-15-10-4-2-1-3-9(10)13/h1-4,6H,5,7H2.
What are the key properties of 4-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole?
4-(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 4-(chloromethyl)-2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 66052848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).