5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole

C6H6ClF2NS — CID 155943455

IUPAC5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole
SMILESCC(F)(F)c1ncc(CCl)s1
InChIInChI=1S/C6H6ClF2NS/c1-6(8,9)5-10-3-4(2-7)11-5/h3H,2H2,1H3
InChIKeyCLILDHPIQYGIHO-UHFFFAOYSA-N
MW197.64 g/mol
LogP2.99
Rot. Bonds2

About 5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole

5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole (PubChem CID 155943455) has the molecular formula C6H6ClF2NS and a molecular weight of 197.64 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole
PubChem CID155943455
Molecular FormulaC6H6ClF2NS
Molecular Weight197.64 g/mol
Exact Mass196.99
IUPAC Name5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole
SMILESCC(F)(F)c1ncc(CCl)s1
InChIInChI=1S/C6H6ClF2NS/c1-6(8,9)5-10-3-4(2-7)11-5/h3H,2H2,1H3
InChIKeyCLILDHPIQYGIHO-UHFFFAOYSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.64
LogP ≤ 52.99
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 5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole (CID 155943455) is 5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole is CC(F)(F)c1ncc(CCl)s1.
What is the InChIKey of 5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole?
The InChIKey is CLILDHPIQYGIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF2NS/c1-6(8,9)5-10-3-4(2-7)11-5/h3H,2H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole?
5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole has a molecular weight of 197.64 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(1,1-difluoroethyl)-1,3-thiazole is sourced from PubChem (CID 155943455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).