2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone

C11H7ClFNOS — CID 19009264

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ncc(Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C11H7ClFNOS/c12-10-6-14-11(16-10)5-9(15)7-1-3-8(13)4-2-7/h1-4,6H,5H2
InChIKeyYIUKFUUWAWRRJN-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.36
Rot. Bonds3

About 2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone

2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone (PubChem CID 19009264) has the molecular formula C11H7ClFNOS and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone
PubChem CID19009264
Molecular FormulaC11H7ClFNOS
Molecular Weight255.70 g/mol
Exact Mass254.99
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ncc(Cl)s1)c1ccc(F)cc1
InChIInChI=1S/C11H7ClFNOS/c12-10-6-14-11(16-10)5-9(15)7-1-3-8(13)4-2-7/h1-4,6H,5H2
InChIKeyYIUKFUUWAWRRJN-UHFFFAOYSA-N
XLogP3.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone (CID 19009264) is 2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone is O=C(Cc1ncc(Cl)s1)c1ccc(F)cc1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone?
The InChIKey is YIUKFUUWAWRRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNOS/c12-10-6-14-11(16-10)5-9(15)7-1-3-8(13)4-2-7/h1-4,6H,5H2.
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone?
2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone has a molecular weight of 255.70 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 19009264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).