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

C9H3BrF2N2OS — CID 106944362

IUPAC(3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C9H3BrF2N2OS/c10-4-1-2-5(11)7(8(4)12)9(15)6-3-13-14-16-6/h1-3H
InChIKeySODYNWQDODBOED-UHFFFAOYSA-N
MW305.10 g/mol
LogP2.81
Rot. Bonds2

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

(3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone (PubChem CID 106944362) has the molecular formula C9H3BrF2N2OS and a molecular weight of 305.10 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone
PubChem CID106944362
Molecular FormulaC9H3BrF2N2OS
Molecular Weight305.10 g/mol
Exact Mass303.91
IUPAC Name(3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C9H3BrF2N2OS/c10-4-1-2-5(11)7(8(4)12)9(15)6-3-13-14-16-6/h1-3H
InChIKeySODYNWQDODBOED-UHFFFAOYSA-N
XLogP2.81
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 52.81
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-(thiadiazol-5-yl)ethanone
CID 106267390
(3-bromo-2,6-difluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 106941718
(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone
CID 106941643
(3-bromo-2,6-difluorophenyl)-(4-tert-butylthiadiazol-5-yl)methanone
CID 106944355
(3,5-difluorophenyl)-(thiadiazol-5-yl)methanone
CID 105095106
2-(3-bromo-4-fluorophenyl)-1-(thiadiazol-5-yl)ethanone
CID 105083852
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351
(3-bromo-2,6-difluorophenyl)-(furan-3-yl)methanone
CID 106941716
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 106944264
N-(4-bromo-2,5-difluorophenyl)thiadiazole-5-carboxamide
CID 103842612

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone (CID 106944362) is (3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone is O=C(c1cnns1)c1c(F)ccc(Br)c1F.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone?
The InChIKey is SODYNWQDODBOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrF2N2OS/c10-4-1-2-5(11)7(8(4)12)9(15)6-3-13-14-16-6/h1-3H.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone?
(3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone has a molecular weight of 305.10 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 106944362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).