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

C11H7ClFNOS — CID 112731600

IUPAC1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1ccc(Cl)cc1F
InChIInChI=1S/C11H7ClFNOS/c12-7-1-2-8(9(13)5-7)10(15)6-11-14-3-4-16-11/h1-5H,6H2
InChIKeyUEPDNCXHDNTPAT-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.36
Rot. Bonds3

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

1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 112731600) has the molecular formula C11H7ClFNOS and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID112731600
Molecular FormulaC11H7ClFNOS
Molecular Weight255.70 g/mol
Exact Mass254.99
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1ccc(Cl)cc1F
InChIInChI=1S/C11H7ClFNOS/c12-7-1-2-8(9(13)5-7)10(15)6-11-14-3-4-16-11/h1-5H,6H2
InChIKeyUEPDNCXHDNTPAT-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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Related Compounds

1-[5-chloro-2-(2-fluorobenzoyl)phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541218
1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one
CID 10732947
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786506
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
1-(4-chloro-2-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 63410206
1-(4-amino-3,5-dichlorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116609810
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone
CID 115786406
1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116560365
1-(4-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868497

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone (CID 112731600) is 1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone is O=C(Cc1nccs1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is UEPDNCXHDNTPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNOS/c12-7-1-2-8(9(13)5-7)10(15)6-11-14-3-4-16-11/h1-5H,6H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)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 1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 112731600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).