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

C10H6ClFN2OS — CID 105135621

IUPAC2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1F)c1cnsn1
InChIInChI=1S/C10H6ClFN2OS/c11-7-2-1-6(8(12)4-7)3-10(15)9-5-13-16-14-9/h1-2,4-5H,3H2
InChIKeyPTECDVWWTRBQDD-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.76
Rot. Bonds3

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

2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone (PubChem CID 105135621) has the molecular formula C10H6ClFN2OS and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
PubChem CID105135621
Molecular FormulaC10H6ClFN2OS
Molecular Weight256.69 g/mol
Exact Mass255.99
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1F)c1cnsn1
InChIInChI=1S/C10H6ClFN2OS/c11-7-2-1-6(8(12)4-7)3-10(15)9-5-13-16-14-9/h1-2,4-5H,3H2
InChIKeyPTECDVWWTRBQDD-UHFFFAOYSA-N
XLogP2.76
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
CID 105088259
2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
CID 105129130
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(4-chloro-2-fluorophenyl)-1-pyridin-3-ylethanone
CID 114853626
2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105135626
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 115816050
1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone
CID 130943487
2-(4-chloro-2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanone
CID 115815694
2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105135709
1-(3-bromo-4-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114854275
1-(5-bromothiophen-3-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 105135631

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone (CID 105135621) is 2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone is O=C(Cc1ccc(Cl)cc1F)c1cnsn1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The InChIKey is PTECDVWWTRBQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2OS/c11-7-2-1-6(8(12)4-7)3-10(15)9-5-13-16-14-9/h1-2,4-5H,3H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone has a molecular weight of 256.69 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone is sourced from PubChem (CID 105135621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).