5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one

C11H9ClFNOS — CID 15462098

IUPAC5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)c(CCCl)s1
InChIInChI=1S/C11H9ClFNOS/c12-6-5-9-10(14-11(15)16-9)7-1-3-8(13)4-2-7/h1-4H,5-6H2,(H,14,15)
InChIKeyBBFWBSAKBTXFBI-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.02
Rot. Bonds3

About 5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one

5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one (PubChem CID 15462098) has the molecular formula C11H9ClFNOS and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one
PubChem CID15462098
Molecular FormulaC11H9ClFNOS
Molecular Weight257.72 g/mol
Exact Mass257.01
IUPAC Name5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccc(F)cc2)c(CCCl)s1
InChIInChI=1S/C11H9ClFNOS/c12-6-5-9-10(14-11(15)16-9)7-1-3-8(13)4-2-7/h1-4H,5-6H2,(H,14,15)
InChIKeyBBFWBSAKBTXFBI-UHFFFAOYSA-N
XLogP3.02
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Fluorophenyl)-2,3-dihydro-1,3-thiazol-2-one
CID 43286787
5-Ethyl-4-phenyl-2,3-dihydro-1,3-thiazol-2-one
CID 43286806
4-(4-Fluorophenyl)-1,3-thiazol-2-OL
CID 43286749
5-Methyl-4-phenyl-2,3-dihydro-1,3-thiazol-2-one
CID 43286754
4,5-Diphenyl-1,3-thiazol-2(3H)-one
CID 236970
4-(3-Fluorophenyl)-2,3-dihydro-1,3-thiazol-2-one
CID 43286718
5-amino-4-phenyl-3H-1,3-thiazol-2-one
CID 69333653
4-(4-Fluorophenyl)-5-methyl-2,3-dihydro-1,3-thiazol-2-one
CID 20686960
5-(2-Chloroethyl)-4-(4-fluorophenyl)-3-methyl-1,3-thiazol-2-one
CID 21394595
5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione
CID 21394606
4-[2-chloro-2-(4-fluorophenyl)ethyl]-3H-1,3-thiazol-2-one
CID 68120487
3-[(4-Fluorophenyl)methyl]-4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-one
CID 20421425

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one (CID 15462098) is 5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one is O=c1[nH]c(-c2ccc(F)cc2)c(CCCl)s1.
What is the InChIKey of 5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one?
The InChIKey is BBFWBSAKBTXFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNOS/c12-6-5-9-10(14-11(15)16-9)7-1-3-8(13)4-2-7/h1-4H,5-6H2,(H,14,15).
What are the key properties of 5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one?
5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one has a molecular weight of 257.72 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-4-(4-fluorophenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 15462098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).