2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone

C10H5BrF2N2OS — CID 106267390

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1cnns1
InChIInChI=1S/C10H5BrF2N2OS/c11-6-1-2-7(12)5(10(6)13)3-8(16)9-4-14-15-17-9/h1-2,4H,3H2
InChIKeyCYPGNOHMPRUAON-UHFFFAOYSA-N
MW319.13 g/mol
LogP3.00
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone

2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone (PubChem CID 106267390) has the molecular formula C10H5BrF2N2OS and a molecular weight of 319.13 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone
PubChem CID106267390
Molecular FormulaC10H5BrF2N2OS
Molecular Weight319.13 g/mol
Exact Mass317.93
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone
SMILESO=C(Cc1c(F)ccc(Br)c1F)c1cnns1
InChIInChI=1S/C10H5BrF2N2OS/c11-6-1-2-7(12)5(10(6)13)3-8(16)9-4-14-15-17-9/h1-2,4H,3H2
InChIKeyCYPGNOHMPRUAON-UHFFFAOYSA-N
XLogP3.00
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone
CID 106266192
2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
CID 105083852
(3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone
CID 106944362
2-(3-bromo-2,6-difluorophenyl)-1-(3,4,5-trifluorophenyl)ethanone
CID 106266017
2-(3-bromo-2,6-difluorophenyl)-1-(4-bromophenyl)ethanone
CID 106265929
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
2-(3-bromo-2,6-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethanone
CID 106266355
2-(3-bromo-2,6-difluorophenyl)acetamide
CID 131036088
2-(3-bromo-2,6-difluorophenyl)-1-(4-iodophenyl)ethanone
CID 114166217
2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 106267638
3-(3-bromo-2,6-difluorophenyl)-2-oxopropanoic acid
CID 130874083
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone (CID 106267390) is 2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone is O=C(Cc1c(F)ccc(Br)c1F)c1cnns1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone?
The InChIKey is CYPGNOHMPRUAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF2N2OS/c11-6-1-2-7(12)5(10(6)13)3-8(16)9-4-14-15-17-9/h1-2,4H,3H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone?
2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone has a molecular weight of 319.13 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone is sourced from PubChem (CID 106267390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).