2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole

C10H9BrN2S — CID 130052576

IUPAC2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole
SMILESCCc1cccc(-c2nncs2)c1Br
InChIInChI=1S/C10H9BrN2S/c1-2-7-4-3-5-8(9(7)11)10-13-12-6-14-10/h3-6H,2H2,1H3
InChIKeyAYZNYFAOAHFMCW-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.53
Rot. Bonds2

About 2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole

2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole (PubChem CID 130052576) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole
PubChem CID130052576
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole
SMILESCCc1cccc(-c2nncs2)c1Br
InChIInChI=1S/C10H9BrN2S/c1-2-7-4-3-5-8(9(7)11)10-13-12-6-14-10/h3-6H,2H2,1H3
InChIKeyAYZNYFAOAHFMCW-UHFFFAOYSA-N
XLogP3.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-ethylphenyl)-1,3,4-thiadiazole
CID 130052608
2-(1,3,4-thiadiazol-2-yl)aniline
CID 21271879
2-bromo-1-ethyl-3-phenylbenzene
CID 174683375
2-(1,3,4-thiadiazol-2-yl)phenol
CID 135744207
2-methoxy-3-(1,3,4-thiadiazol-2-yl)aniline
CID 166843941
2-bromo-1,3-diethylbenzene;formonitrile
CID 174727247
N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82739373
ethane;2-phenyl-1,3,4-thiadiazole
CID 142010140
2-(3-fluorophenyl)-1,3,4-thiadiazole
CID 130052469
5-(2-ethylphenyl)-1,3-thiazole
CID 67816581
5-ethylcinnoline
CID 147224784
2-[2-(3-ethylphenyl)-1H-imidazol-5-yl]-1,3,4-thiadiazole
CID 137094885

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole (CID 130052576) is 2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole is CCc1cccc(-c2nncs2)c1Br.
What is the InChIKey of 2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole?
The InChIKey is AYZNYFAOAHFMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c1-2-7-4-3-5-8(9(7)11)10-13-12-6-14-10/h3-6H,2H2,1H3.
What are the key properties of 2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole?
2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole has a molecular weight of 269.17 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-ethylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130052576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).