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

C11H9ClFNS — CID 82117610

IUPAC2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(CCCl)n2)cc1
InChIInChI=1S/C11H9ClFNS/c12-6-5-11-14-10(7-15-11)8-1-3-9(13)4-2-8/h1-4,7H,5-6H2
InChIKeyITSXFUXIVDQZNU-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.73
Rot. Bonds3

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

2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 82117610) has the molecular formula C11H9ClFNS and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID82117610
Molecular FormulaC11H9ClFNS
Molecular Weight241.72 g/mol
Exact Mass241.01
IUPAC Name2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(CCCl)n2)cc1
InChIInChI=1S/C11H9ClFNS/c12-6-5-11-14-10(7-15-11)8-1-3-9(13)4-2-8/h1-4,7H,5-6H2
InChIKeyITSXFUXIVDQZNU-UHFFFAOYSA-N
XLogP3.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole
CID 82124733
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965132
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82103269
4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
CID 94281736
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]cyclohexanamine
CID 82103393
2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole
CID 62923597
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 82122307
4-fluoro-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393547
3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110415644

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole (CID 82117610) is 2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole is Fc1ccc(-c2csc(CCCl)n2)cc1.
What is the InChIKey of 2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is ITSXFUXIVDQZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNS/c12-6-5-11-14-10(7-15-11)8-1-3-9(13)4-2-8/h1-4,7H,5-6H2.
What are the key properties of 2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole?
2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 241.72 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 82117610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).