2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone

C10H6BrClN2OS — CID 105129130

IUPAC2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1Cl)c1cnsn1
InChIInChI=1S/C10H6BrClN2OS/c11-7-2-1-6(8(12)4-7)3-10(15)9-5-13-16-14-9/h1-2,4-5H,3H2
InChIKeyFKMNIGHQQQOFLV-UHFFFAOYSA-N
MW317.60 g/mol
LogP3.38
Rot. Bonds3

About 2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone

2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone (PubChem CID 105129130) has the molecular formula C10H6BrClN2OS and a molecular weight of 317.60 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
PubChem CID105129130
Molecular FormulaC10H6BrClN2OS
Molecular Weight317.60 g/mol
Exact Mass315.91
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
SMILESO=C(Cc1ccc(Br)cc1Cl)c1cnsn1
InChIInChI=1S/C10H6BrClN2OS/c11-7-2-1-6(8(12)4-7)3-10(15)9-5-13-16-14-9/h1-2,4-5H,3H2
InChIKeyFKMNIGHQQQOFLV-UHFFFAOYSA-N
XLogP3.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
CID 105088259
2-(4-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone
CID 105135621
2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone
CID 113471210
2-(4-bromo-2-chlorophenyl)-1-pyridazin-4-ylethanone
CID 105129169
2-(4-bromo-2-chlorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115801958
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-iodophenyl)ethanone
CID 103214376
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-2-chlorophenyl)ethanone
CID 115802017
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-iodophenyl)ethanone
CID 114029972
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-fluorophenyl)ethanone
CID 115801799
1-(2,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967195
1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone
CID 130943487

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone (CID 105129130) is 2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone is O=C(Cc1ccc(Br)cc1Cl)c1cnsn1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
The InChIKey is FKMNIGHQQQOFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2OS/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-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone?
2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone has a molecular weight of 317.60 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanone is sourced from PubChem (CID 105129130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).